IBS-ZINC02212018 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 1.2710 -2.0960 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.5570 -1.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -1.8040 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.8630 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -0.1430 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -0.3530 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -1.2920 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.0230 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -2.9790 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -2.5130 1.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -4.3460 0.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -4.9560 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -5.8880 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -6.2270 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -5.2940 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -7.8820 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -9.2050 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -10.0190 -2.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -9.6310 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -8.6030 -3.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -10.5210 -4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 -10.4900 -4.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -11.3180 -5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -12.1490 -6.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -12.1460 -6.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -11.3560 -5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.6920 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.0460 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -2.2550 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -0.6640 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 0.5920 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 0.2200 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -1.4460 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -4.2100 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -5.5290 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -5.3420 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -6.4380 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -6.9990 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -5.6710 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -5.8720 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -4.7770 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -8.0870 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -7.3570 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -9.8000 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -9.0350 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -10.8900 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -9.8410 -4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -11.3360 -6.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -12.8140 -6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -11.3910 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -6.9240 -0.6550 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8320 -7.4680 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 51 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END