ACROSORGANICS-ZINC04261884 MOE2007 3D Structure written by MMmdl. 60 64 0 0 0 0 0 0 0 0999 V2000 1.8560 -2.5440 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -1.7700 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -1.3700 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -0.6710 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -0.3670 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.7830 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -1.4810 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -0.3970 2.3320 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.3990 1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 0.3520 2.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 0.3410 1.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 0.8320 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 2.2300 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 2.8460 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 2.0650 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 0.6710 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 0.0410 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -1.4360 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -2.0790 1.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -2.1930 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -3.5830 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 -4.3200 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 -3.6590 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 -2.2590 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -1.5320 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -0.1180 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 0.4160 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -1.7120 -0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9750 -0.6330 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 0.0580 -2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3910 1.1330 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7250 1.5490 -3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6940 0.8550 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3140 -0.2160 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6390 -1.0990 -0.6160 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.5290 -1.4640 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9360 -2.2280 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1190 2.6720 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -3.6170 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -2.2660 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -2.3370 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.5950 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.3660 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -1.7860 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 0.5250 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 2.8440 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 3.9260 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 2.5440 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -4.0970 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0560 -5.3990 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1550 -4.2390 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4950 -2.1970 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 -0.2400 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 1.6390 -3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7440 1.1310 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3530 2.2830 -4.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9960 3.2020 -3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3110 3.4060 -4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -1.7210 2.8840 O 0 5 0 0 0 0 0 0 0 0 0 0 -12.1410 -0.0870 0.3070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 44 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 59 1 0 0 0 0 11 12 1 0 0 0 0 11 45 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 46 1 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 32 38 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 35 60 1 0 0 0 0 38 56 1 0 0 0 0 38 57 1 0 0 0 0 38 58 1 0 0 0 0 M CHG 1 59 -1 M CHG 1 60 -1 M END