14 -OEChem-02070708192D 57 57 0 1 0 0 0 0 0999 V2000 11.9356 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -3.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -2.4139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1755 -1.8261 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9845 -2.4139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4154 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6396 4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6231 -1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0815 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -1.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 -3.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6107 -3.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -3.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -3.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6385 -0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 -2.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -3.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -3.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -2.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5181 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -4.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -3.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2969 2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3841 2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5615 4.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9496 3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 4.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1765 4.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 38 1 0 0 0 0 2 11 2 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 57 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 2 3 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 M END $$$$ ACD/Labs04111411492D 25 25 0 0 1 0 0 0 0 0 1 V2000 10.1385 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -3.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1385 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3026 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 -5.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2800 -2.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1498 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3843 -4.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 25 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 6 0 0 0 12 13 1 1 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 10450678 -OEChem-02070712102D 57 57 0 1 0 0 0 0 0999 V2000 11.9356 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -3.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1755 -1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9845 -2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4154 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6396 4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6231 -1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0815 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -1.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 -3.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6107 -3.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -3.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -3.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6385 -0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 -2.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -3.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -3.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -2.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5181 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -4.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -3.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2969 2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3841 2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5615 4.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9496 3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1765 4.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 4.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 38 1 0 0 0 0 2 11 2 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 57 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 1 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 M END $$$$ 10832394 -OEChem-02070712202D 57 57 0 1 0 0 0 0 0999 V2000 11.9356 -3.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 -4.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 0.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -3.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -2.8590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1755 -2.2712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9845 -2.8590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4154 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -2.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7633 -1.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -2.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3565 -0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9443 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5376 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -1.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1254 1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7186 2.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 3.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -2.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8997 4.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0020 -2.3574 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 9.8111 -1.7696 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 11.3489 -2.3574 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 7.9268 -3.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -3.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 -3.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6107 -4.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -2.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -1.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3799 -1.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -3.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -3.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0645 -3.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -1.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7399 -0.4838 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -2.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0236 0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1069 1.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -1.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -1.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6394 2.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5560 1.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2046 2.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2879 3.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7371 3.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8204 4.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4661 4.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6475 5.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3333 4.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 38 1 0 0 0 0 2 11 2 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 57 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 6 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 M ISO 4 26 3 27 3 28 3 41 3 M END $$$$ ACD/Labs05050703082D 25 25 0 0 0 0 0 0 0 0 1 V2000 6.6457 -10.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5332 -9.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1219 -8.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0094 -7.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -6.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4857 -5.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 -5.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0744 -4.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7755 -3.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 -2.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 -0.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 -2.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 -2.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -4.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 -5.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 -6.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 -7.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 -8.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 -9.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 -10.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4748 -1.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M END $$$$ 14 -OEChem-11170512462D 57 57 0 1 0 0 0 0 0999 V2000 13.6396 4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -1.8261 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9845 -2.4139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -2.4139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4154 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -3.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9496 3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1765 4.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 4.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5615 4.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3841 2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2969 2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5181 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6385 -0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4627 -1.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1096 -1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6107 -3.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 -3.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2413 -1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -1.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -3.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -3.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -3.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -3.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -2.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -4.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -3.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 -2.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 3 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 M END $$$$ Marvin 08140717532D 25 25 0 0 1 0 0 0 0 0999 V2000 -2.1487 0.4063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1526 -0.4214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9346 0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9461 -0.6719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4388 -0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1852 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7023 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -1.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 -0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8549 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8473 -0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 1.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 6 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 6 0 0 0 6 11 2 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ ACD/Labs09150703532D 28 28 0 0 1 0 0 0 0 0 1 V2000 4.0641 -0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -2.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 -2.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 -3.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1427 -4.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4196 -5.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 -6.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9588 -7.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9555 -6.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6964 -7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1538 -6.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3786 -7.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 -8.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 -8.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -7.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 -7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -5.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -5.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4883 -9.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7451 -8.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9588 -9.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6964 -9.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3786 -9.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1538 -10.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0740 -8.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0497 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7906 -0.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 2 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 6 0 0 0 10 23 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 M END $$$$ ACD/Labs09160702402D 28 28 0 0 1 0 0 0 0 0 1 V2000 2.3391 -5.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -3.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -4.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 -2.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -3.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 -1.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -3.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5744 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8794 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0376 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1845 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 -5.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5987 -5.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5865 -6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 -6.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8348 -6.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0952 -6.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0944 -7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8105 -8.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3548 -6.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END $$$$ ACD/Labs09160703162D 28 28 0 0 1 0 0 0 0 0 1 V2000 2.3391 -5.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -3.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -4.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 -2.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -3.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 -1.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -3.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5744 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8794 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0376 -1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1845 -1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 -5.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5987 -5.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5865 -6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 -6.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8348 -6.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0952 -6.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0944 -7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8105 -8.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3548 -6.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 1 3 1 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END $$$$ -OEChem-07090809202D 25 25 0 1 0 0 0 0 0999 V2000 7.0866 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0054 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 0.9519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5869 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 1.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 1.5426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5022 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 4.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 4.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 5.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 6.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 7.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 7.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 7.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 3 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M END $$$$ -OEChem-07090809372D 25 25 0 1 0 0 0 0 0999 V2000 7.0866 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0054 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 0.9519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5869 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 1.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 1.5426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5022 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 4.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 4.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 5.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 6.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 7.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 7.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 7.5373 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 3 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 25 -1 M END $$$$ -OEChem-07090809392D 25 25 0 1 0 0 0 0 0999 V2000 7.0866 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0054 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 0.9519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5869 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 1.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 1.5426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5022 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 4.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 4.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 5.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 6.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 7.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 7.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 7.5373 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 3 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 25 -1 M END $$$$ -OEChem-07090810582D 25 25 0 1 0 0 0 0 0999 V2000 7.0866 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6991 0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0054 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 0.9519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5869 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 1.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 1.5426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5022 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 4.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 4.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 5.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 6.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 7.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 7.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 7.5373 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 3 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 25 -1 M END $$$$ ACD/Labs04080916162D 25 25 0 0 1 0 0 0 0 0 1 V2000 0.0000 -10.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 -9.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -8.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -7.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -7.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 -5.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 -5.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 -5.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 -4.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 -3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 -3.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 -4.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 -2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8411 -1.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5623 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2043 -1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3593 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5144 -1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8244 -1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9662 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 -1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2763 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M END $$$$ Marvin 02061100152D 27 25 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 0.8839 0.0000 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 -4.6903 -7.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9057 -7.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 -6.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 -6.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7781 -5.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9934 -5.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -5.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 -4.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -4.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 -3.3581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4178 -2.7450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2383 -2.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0053 -2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -2.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1121 -3.0225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6024 -3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 -3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 -3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 -3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1747 -3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8892 -3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6037 -3.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8892 -4.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 M CHG 2 1 1 2 1 M END $$$$ Marvin 02061100152D 26 25 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 2.2393 -3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 -3.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1954 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 -2.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 -1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 -1.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8924 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0639 0.6736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5118 1.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6914 1.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 2.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7313 1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 2.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 1.0091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5320 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2465 1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9610 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6754 1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3899 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1044 1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5333 1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 -0.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M CHG 1 1 1 M END $$$$ ACD/Labs04111411492D 25 25 0 0 1 0 0 0 0 0 2 V2000 10.1385 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -3.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1385 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3026 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 -5.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2800 -2.0119 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1498 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3843 -4.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 25 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 6 0 0 0 12 13 1 1 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M CHG 1 22 -1 M END $$$$