OTAVA-ZINC04062688 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 0.3660 1.2840 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 2.0300 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 3.4100 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 4.0550 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 3.2970 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 1.9100 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 3.9720 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 3.3180 -0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 5.4460 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 6.0900 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 7.4700 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 8.2160 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 7.5920 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 6.2040 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 5.5280 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 6.1830 -0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 9.9730 0.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 10.4740 -0.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 10.3480 -0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 10.3650 1.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 10.0080 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 10.0250 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 9.6740 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 9.2920 4.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 9.2630 4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 9.6210 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 9.5920 4.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 9.9030 3.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 0.2080 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 1.5310 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 3.9860 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 1.3220 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 5.5140 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 7.9680 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 8.1800 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 10.8450 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 10.3180 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 9.6940 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 9.0150 4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 8.9640 5.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 9.2200 5.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 9.2560 5.7910 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 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 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 41 42 1 0 0 0 0 M END