MMs01366238 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 67 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 -0.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 1.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2599 1.2346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2482 -0.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2716 2.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7598 1.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7801 3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2802 3.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5403 5.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3005 6.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 6.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5402 5.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0402 5.1023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9996 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7598 1.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7395 -1.3985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2394 -1.4103 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6394 -2.4495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9995 -0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4995 -0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2393 -1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4792 -2.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9793 -2.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2191 -4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9590 -5.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4589 -5.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2190 -4.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2824 -1.1918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 -0.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8918 -1.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -1.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6282 3.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9283 3.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4332 1.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4452 3.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6721 2.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 5.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 7.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4085 7.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3689 -0.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6988 -1.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1314 -2.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8752 0.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2171 1.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3004 1.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6303 0.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1646 -0.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1525 -2.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0192 -3.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3509 -6.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0508 -6.3687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4190 -4.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 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 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 M END