MMs03930208 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 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 -0.5658 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 -1.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 -2.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 -1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5288 -1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 1.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7534 2.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 3.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 4.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1426 3.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7134 -2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1026 -1.5322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3072 -0.0462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6964 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9010 2.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8810 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3217 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1640 -1.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2438 -2.4089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8328 -1.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8399 -2.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6632 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4545 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9537 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6617 -1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8703 -2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3711 -2.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5798 -3.8692 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 -0.2263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 1.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 0.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 -2.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 -2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 -1.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -2.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5842 -3.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5759 -3.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9759 -2.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 0.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 2.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8327 2.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 4.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 4.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 4.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 5.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1468 4.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 4.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 3.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5952 2.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 -3.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3595 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7290 1.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8882 1.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5868 0.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8610 -1.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4367 -3.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 17 2 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 M END