MMs03234410 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 -0.2731 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 -2.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 -3.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8192 -4.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 -4.8978 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0460 -3.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1493 -4.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 -6.3727 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6031 -7.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0616 -6.9962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 -8.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8716 -9.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4857 -8.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2069 -9.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1115 -8.9106 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1115 -10.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3903 -9.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7086 -8.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 -9.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9479 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2267 -12.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5451 -11.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5846 -9.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 -9.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8239 -12.1150 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -7.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 -10.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -11.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8475 -11.1028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2483 -12.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8215 -9.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 -10.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3205 -8.5481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 -7.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -0.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 1.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 0.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3972 -1.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -2.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 -5.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -3.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 -3.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 -10.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4601 -10.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -10.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1371 -10.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8932 -11.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1951 -13.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6393 -9.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3374 -7.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -6.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2071 -8.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0737 -6.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3819 -6.6282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 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 8 1 0 0 0 0 6 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 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 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 M END