IFLAB-ZINC04315271 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 1.1680 6.8520 9.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 7.7150 9.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 7.8120 8.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 7.0050 7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 6.1520 7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 6.0430 8.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 5.5250 6.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 4.8410 5.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 5.9460 5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 5.5010 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 5.7880 2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 5.4010 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 3.6360 2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 4.0320 3.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 3.5260 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 2.0350 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 1.4080 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 0.0270 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.7290 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -0.1290 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 1.2520 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -2.0530 -0.9300 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 6.8140 10.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 8.3220 10.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 8.4700 7.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 5.3780 8.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 6.1230 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 5.2440 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 6.8540 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 5.5250 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 5.9960 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 4.1870 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 2.5610 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 3.3910 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 3.8450 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 3.9240 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 4.0280 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 1.9860 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -0.4640 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -0.7400 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 1.7060 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 6.8420 5.7300 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0610 7.3350 5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 3.9470 1.3470 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9780 3.3800 1.7760 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 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 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 42 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 44 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 42 1 M CHG 1 44 1 M END