38 45 0 0001 0 0 0 0 0999 V2000 7.7141 2.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.9489 -1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.8258 -0.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.8258 1.2882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 11.6396 0.2480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.6370 -1.7076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.1919 0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.8966 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4507 1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.6737 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3153 1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8258 -0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3258 0.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3190 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2843 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9718 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.9330 -0.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0475 1.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1211 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2774 -1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7566 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.1772 1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5825 -2.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.8859 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7443 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1255 -2.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0838 2.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2829 1.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.3467 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.8399 -1.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.9143 -2.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0281 -3.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2018 3.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2953 2.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6577 2.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 11.8001 -0.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 2.1000 -2.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 1 10 1 0 9 2 1 6 2 31 1 0 3 26 2 0 4 8 1 0 4 13 1 0 4 17 1 0 5 10 1 0 5 14 1 0 5 19 1 0 11 6 1 6 6 30 1 0 6 37 1 0 7 24 1 0 7 26 1 0 7 38 1 0 8 9 1 0 8 18 1 0 9 11 1 0 10 12 1 0 10 36 1 1 11 12 1 0 13 14 2 0 13 15 1 0 14 16 1 0 15 20 1 0 15 21 2 0 16 22 2 0 16 23 1 0 17 20 1 0 17 25 2 0 19 23 1 0 19 28 2 0 20 27 2 0 21 22 1 0 21 24 1 0 22 26 1 0 23 29 2 0 25 32 1 0 27 33 1 0 28 34 1 0 29 35 1 0 32 33 2 0 34 35 2 0 M END > 10 37 5 13 14 8 13 15 8 14 16 8 15 20 8 15 21 8 16 22 8 16 23 8 17 20 8 17 25 8 19 23 8 19 28 8 9 2 6 20 27 8 21 22 8 23 29 8 25 32 8 27 33 8 28 34 8 29 35 8 32 33 8 34 35 8 4 13 8 4 17 8 5 14 8 5 19 8 11 6 6 8 18 3 > InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28?/m0/s1 > HKSZLNNOFSGOKW-HOWPHSCPSA-N > 1/1/N:18,30,31,35,33,34,32,29,27,28,25,12,24,23,20,21,11,19,17,10,15,16,22,14,13,9,26,8,6,7,5,4,3,2,1/it:im/rA:61cOOONNNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s1s4;n2s8;s1s5;n6s9;s10s11;s4;s5d13;s13;s14;s4;s8;s5;s15s17;d15;d16s21;s16s19;s7s21;d17;d3s7s22;d20;d19;d23;s6;s2;s25;s27d32;s28;s29d34;s9;P10;s11;s12;s12;s18;s18;s18;s6;s24;s24;s25;s27;s28;s7;s29;s30;s30;s30;s31;s31;s31;s32;s33;s34;s35;/rC:7.7141,2.8707,0;9.9489,-1.1211,0;2,-.0099,0;6.8258,-.4438,0;5.8258,1.2882,0;11.6396,.248,0;2.637,-1.7076,0;8.1919,.9222,0;9.8966,-.1225,0;8.4507,1.8881,0;10.6737,.5069,0;10.3153,1.4404,0;5.8258,-.4438,0;5.3258,.4222,0;5.319,-1.3538,0;4.2843,.4382,0;6.9718,-1.4269,0;7.933,-.0437,0;5.0475,1.9061,0;6.1211,-1.9406,0;4.2774,-1.3619,0;3.7566,-.4598,0;4.1772,1.4263,0;3.5825,-2.1296,0;7.8859,-1.9127,0;2.7443,-.6777,0;6.1255,-2.9758,0;5.0838,2.9407,0;3.2829,1.9477,0;12.3467,.9551,0;10.8399,-1.5751,0;7.9143,-2.9475,0;7.0281,-3.4826,0;4.2018,3.4826,0;3.2953,2.9828,0;10.463,-.3746,0;8.6577,2.6608,0;10.8026,-.0996,0;10.9268,1.5428,0;10.337,2.0601,0;7.3342,.1167,0;7.7726,-.6426,0;8.5319,-.2042,0;11.8001,-.3508,0;3.2718,-2.6661,0;4.0834,-2.495,0;8.4129,-1.5861,0;5.5911,-3.2902,0;5.6302,3.2338,0;2.1,-2.0176,0;2.7435,1.6421,0;12.7851,.5167,0;12.7851,1.3936,0;11.9083,1.3936,0;10.5584,-2.1275,0;11.3923,-1.8566,0;11.1214,-1.0227,0;8.4584,-3.2448,0;7.038,-4.1026,0;4.2164,4.1025,0;2.7634,3.3013,0; > C28 H26 N4 O3 > 466.531 > O1[C@]2([H])C([H])([H])[C@@]([H])([C@@]([H])(C1(C([H])([H])[H])N1C3=C([H])C([H])=C([H])C([H])=C3C3=C4C([H])([H])N([H])C(C4=C4C5=C([H])C([H])=C([H])C([H])=C5N2C4=C13)=O)OC([H])([H])[H])N([H])C([H])([H])[H] > 4572941 $$$$