IBS-ZINC04026243 MOE2007 3D Structure written by MMmdl. 41 45 0 0 1 0 0 0 0 0999 V2000 1.2490 2.0330 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 1.3050 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -0.0880 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -0.7260 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0210 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 1.3840 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.9820 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -2.2350 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -2.0670 -0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.7920 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -3.4820 -0.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5410 -3.6050 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -4.8460 0.3560 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8880 -5.5220 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -5.0880 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -6.4810 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -7.2470 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -6.7820 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -5.2700 1.3340 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7510 -4.8310 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -4.5830 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -2.1040 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -0.7820 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 3.1170 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 1.8290 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.6490 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 1.9620 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -4.3590 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -5.0020 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -6.8770 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -8.2510 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -7.0620 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -7.2850 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -4.4850 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -4.9790 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -2.3500 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -2.0490 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -0.3690 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -0.0490 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -3.2260 0.5520 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3370 -2.8720 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 40 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END