IBS-ZINC02130963 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5250 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.5210 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.5350 0.1400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8920 -0.1120 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.1400 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -0.9660 -1.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 1.1320 -1.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 1.7760 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 1.5420 -2.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9420 0.7170 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 2.7480 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 2.3430 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 2.4480 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 2.0760 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 1.5990 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 1.4940 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 1.8700 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 1.9140 -3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 1.8450 -3.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.9950 0.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -2.5860 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -1.9210 2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -4.0560 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -4.7400 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -6.1170 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -6.8200 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -6.1550 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -4.7700 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -4.0630 -0.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -4.5420 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -2.7210 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.1400 -1.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9010 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.8940 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.8690 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -0.3490 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -0.1770 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -1.6110 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.1440 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 3.5420 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 3.1080 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 2.8220 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 2.1580 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1250 1.3080 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4670 1.1210 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6760 1.7920 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -4.1950 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -6.6510 3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -7.8980 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -6.7110 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 2.3230 -4.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 2.5510 -5.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 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 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 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 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 52 53 1 0 0 0 0 M END