IBS-ZINC05111219 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 58 0 0 0 0 0 0 0 0999 V2000 -3.7010 5.1460 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 3.7030 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 2.7550 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 1.3050 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 0.3560 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -1.0950 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 -2.0040 0.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -2.5430 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -2.2750 -1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4980 -3.4670 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -4.0280 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9940 -4.9080 -1.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4380 -5.4640 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5780 -6.4590 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0680 -7.0240 -4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5260 -7.3680 -3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4110 -8.2540 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2580 -9.0640 -5.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2100 -10.1450 -4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -3.7670 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0990 -4.5310 0.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5930 -3.1190 1.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 -2.2520 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1720 -1.7450 2.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 5.8060 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 5.2640 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 5.4750 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 3.4160 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 3.6260 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 3.0500 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 2.8380 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 1.0110 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 1.2220 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 0.6520 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 0.4410 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -1.3940 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -1.1820 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4650 -3.7960 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4790 -5.1640 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7740 -4.6520 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5980 -5.9670 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2310 -7.2750 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3930 -5.9610 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4610 -6.2480 -4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2440 -7.5360 -4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9730 -7.1560 -4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3490 -6.4220 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6340 -9.2090 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9380 -8.4630 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3630 -7.7510 -2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1280 -8.5290 -5.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2530 -9.5170 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3480 -10.6530 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2950 -10.8970 -5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1930 -9.7450 -4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -3.2980 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1820 -8.0420 -3.9010 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.9470 -8.5590 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 23 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 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 57 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 57 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 2 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END