OTAVA-ZINC04062688 MOE2007 3D Structure written by MMmdl. 41 44 0 0 0 0 0 0 0 0999 V2000 0.2800 1.3440 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 2.0690 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 3.4570 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 4.1200 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 3.3960 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 2.0040 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 4.0860 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 3.4450 0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 5.5510 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 6.2140 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 7.6030 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 8.3230 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 7.6690 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 6.2760 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 5.5840 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 6.2180 -0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 10.0940 0.1460 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 10.5640 -0.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 10.4080 -0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 10.5750 1.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 10.0700 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 10.2960 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 9.7780 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 9.0510 4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 8.8460 4.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 9.3570 3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 9.1450 4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 9.6620 3.3140 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3460 0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 1.5530 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 4.0140 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 1.4320 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 5.6580 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 8.1150 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 8.2350 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 10.3740 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 10.8750 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 9.9430 2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 8.6490 4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 8.2850 5.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 8.4840 5.1780 O 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 1 0 0 0 0 27 41 2 0 0 0 0 M CHG 1 28 -1 M END