IBS-ZINC04994093 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 4.8580 1.3790 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 2.0550 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 1.2730 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 1.8450 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 3.1800 -0.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 4.0370 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 3.8760 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 4.9870 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 6.2090 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 6.3800 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 5.2750 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 3.9030 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 3.3480 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 4.2080 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 4.9650 -1.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 1.1840 0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 0.7590 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 1.1190 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 0.6610 3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -0.1650 3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -0.5360 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.0790 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -0.7260 5.1620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -0.2090 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -1.1210 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -2.5370 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -3.6550 -0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 1.0910 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 0.4900 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 2.0210 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 2.9540 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 4.9030 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 7.0410 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 7.3180 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 1.0090 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 1.7670 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 0.9530 4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -1.1820 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.3910 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -0.3930 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.5170 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -0.9500 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -0.8900 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 5.1340 -1.1240 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4060 5.8710 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 13 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 12 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 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 44 2 0 0 0 0 13 14 1 0 0 0 0 14 15 3 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 3 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END