MMs01698324 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 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 0.2612 -1.4771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7802 -2.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 -3.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4018 -3.6194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 -2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 -1.4290 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 -2.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5304 -1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5819 -0.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8029 -2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -3.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3639 -4.1710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8140 -5.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1581 -2.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1933 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7056 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1827 -0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1475 -1.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6352 -2.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 -2.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1886 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6741 -3.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2367 -1.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3138 -0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8283 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7222 -1.7247 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 0.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 1.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 -0.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4038 -3.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9456 -3.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 -4.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9338 0.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5925 1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3292 -1.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4070 -3.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7385 -4.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4124 -4.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 0.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -0.0122 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 6 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END