ACROSORGANICS-ZINC03861001 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 1.4400 2.3920 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 3.2700 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 4.6010 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 5.0500 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 4.1740 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 2.8410 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 4.6430 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 3.8750 0.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 6.0440 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 6.4980 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 7.8330 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 8.6900 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 8.2400 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 6.9140 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 6.4490 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 7.2560 -0.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 9.1510 -0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 9.9980 -0.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 8.3210 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 7.0040 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 6.1400 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 6.6310 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 9.3900 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 10.5770 -2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 10.3120 -2.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 1.3550 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 2.9170 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 5.2770 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 2.1480 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 5.8060 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 8.6580 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 10.3710 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 7.7070 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 9.3390 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 7.2110 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 6.4310 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6700 8.9100 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 9.7080 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 8.3600 -1.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9960 8.8380 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 5.0380 -1.6680 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.0860 11.5920 -2.1980 O 0 5 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 29 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 30 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 -1 M CHG 1 42 -1 M END