MMs01413549 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 1.5000 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 -1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4793 2.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0476 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 1.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0117 -1.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2601 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7600 -1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7394 1.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2394 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9996 0.0953 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1996 0.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7393 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7599 -1.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0202 -2.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2599 -1.1859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0202 -2.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5201 -2.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2804 -3.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5407 -5.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0408 -5.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2805 -3.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3011 -6.3819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.7803 -3.7482 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -2.3251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -2.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 2.3727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 3.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8711 3.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 2.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1357 -1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4778 -2.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5610 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8909 -1.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5216 2.5565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8637 1.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1086 1.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4384 2.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7832 0.8085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3310 2.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6953 1.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8516 -0.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1118 -1.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1490 -6.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0805 -3.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 0.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 55 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 15 55 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 55 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 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 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 54 1 0 0 0 0 M END