IBS-ZINC02400428 MOE2007 3D Structure written by MMmdl. 54 56 0 0 0 0 0 0 0 0999 V2000 -3.8150 -1.0430 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 0.1780 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 1.1280 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 2.2800 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 2.8310 0.5180 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 2.9850 1.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 2.1630 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 2.2430 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 1.5350 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 2.1210 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 1.1370 2.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 1.2850 3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -0.0910 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 0.1260 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.9880 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -2.2670 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -2.4490 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.3630 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 4.3890 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 5.2110 0.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 6.6010 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 7.1980 1.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 8.5420 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 9.2730 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 8.5620 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 7.2220 0.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 9.2770 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 9.2370 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -1.5630 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -1.7440 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -0.7600 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -0.1260 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 0.6880 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 0.9060 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 1.1230 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 2.4880 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 3.2910 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.8210 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 3.1540 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -0.8630 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -3.1260 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -3.4510 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.5100 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 4.8330 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 10.3500 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 9.8000 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 10.0010 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 8.5710 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 9.7580 3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 8.5170 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 9.9590 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 4.4250 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 4.9340 2.0240 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8290 5.9560 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 19 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 53 2 0 0 0 0 20 21 1 0 0 0 0 20 44 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 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END