OTAVA-ZINC01749968 MOE2007 3D Structure written by MMmdl. 64 67 0 0 0 0 0 0 0 0999 V2000 3.6170 6.0770 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 5.5480 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 6.3090 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 5.6250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 6.2430 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 4.1630 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 3.4400 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 2.0420 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 1.3700 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 2.1080 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 3.5020 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 4.1590 0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.0130 0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.7910 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -2.2730 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -2.7010 0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -3.0950 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -4.5400 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -5.2260 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -6.7490 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -7.4250 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -8.9460 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -9.6960 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 -8.9860 -0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 7.7790 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 8.4680 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 9.8640 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 10.5790 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 9.8990 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 8.5050 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 10.5370 2.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 11.3310 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 12.6880 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 12.5540 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 11.9430 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 5.8780 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 5.5710 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 7.1490 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 3.9580 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 1.5140 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 1.5890 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -0.5750 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -0.6210 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -2.6970 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -4.8470 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -4.8000 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -4.8830 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -4.9290 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -7.0900 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -7.0430 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -7.0780 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -7.1240 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -9.2920 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -9.2460 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 7.9250 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 10.3940 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 7.9910 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 10.7890 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 11.4870 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 13.3270 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 13.1600 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 12.0260 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 13.5570 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 -10.9560 -0.1590 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 13 14 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 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 64 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 35 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 M CHG 1 64 -1 M END