OTAVA-ZINC05556193 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.0640 1.0760 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.0060 1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.6280 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -0.2040 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -0.8350 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -1.8950 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -2.3220 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -1.6860 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.0990 -0.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -3.1900 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 -2.5340 0.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 -1.8280 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -0.6250 0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 -2.5340 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6680 -1.3210 0.8180 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.1630 -2.3440 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3820 -1.4680 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2550 -0.2710 0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6130 -2.0140 0.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7440 -1.1910 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7020 0.0590 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8200 0.8690 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9820 0.4360 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0280 -0.8080 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9150 -1.6250 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 1.4820 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.8560 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 0.7160 3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 0.6200 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -0.5040 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -3.1460 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -2.9200 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -3.4180 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -4.0650 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -3.4840 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 -3.0440 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -3.2640 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1850 -2.8590 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1570 -3.0790 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7150 -2.9780 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7940 0.3980 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7870 1.8420 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8550 1.0720 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9370 -1.1430 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9530 -2.5990 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END