MMs01218433 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 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 -0.0864 -1.4975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9528 -0.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 -2.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 -1.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 -3.7588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 -3.8451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6886 -3.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 -2.4476 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 -5.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6518 -6.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 -7.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -7.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6484 -6.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8381 -5.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 -3.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0245 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 -9.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 -10.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9182 -4.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3984 -4.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3485 -5.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9286 -3.2739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4089 -3.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9391 -1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9495 0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3695 -2.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 1.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 0.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 -6.4968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 -8.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8471 -6.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0809 -4.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2231 -3.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -2.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5746 -10.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 -11.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5942 -9.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 -5.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3148 -6.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1685 -2.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3943 -4.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 -3.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7599 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9537 -0.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8270 0.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3737 1.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0721 -0.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2980 -1.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1295 -3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4409 -3.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4194 -1.3858 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.5785 -1.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 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 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 53 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 53 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END