MMs02596824 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3437 -0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4383 -2.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -2.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 -1.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8766 -4.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 -5.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -6.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 -6.5837 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 -5.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 -4.5782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7136 -5.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 -6.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1081 -4.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2839 -5.8885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6784 -5.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8972 -3.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -3.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 -4.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2487 -5.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8542 -6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4245 -6.6463 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.8620 -3.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 -7.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 -7.6352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3418 -7.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2371 -5.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0732 -8.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.5333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -1.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 0.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5363 -0.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 -3.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4791 -3.9351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0053 -4.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1089 -7.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9565 -3.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4667 -2.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 -7.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3040 -4.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9776 -3.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4200 -2.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3979 -8.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -8.9927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 -6.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4913 -5.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 -3.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 -4.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0138 -8.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8184 -9.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1326 -9.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 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 10 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 28 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 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END