MMs01916645 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 -0.7529 -1.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4943 -2.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -3.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 -4.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 -3.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2924 -3.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4459 -5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2304 -6.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 -5.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 -6.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 -5.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0115 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7586 -3.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2586 -3.8921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 -5.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -6.4902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5115 -5.1862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2643 -6.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5172 -7.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7643 -6.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5172 -7.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0172 -7.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7643 -6.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0115 -5.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 -5.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2643 -6.4703 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0379 -0.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 0.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 -1.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8006 -2.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2647 -3.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5410 -5.9339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 -7.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -6.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 -2.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1092 -4.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9195 -8.8182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6195 -8.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9092 -4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 15 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 M END