MMs01384897 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 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 -0.7540 -1.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2539 -1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5079 -2.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0079 -2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 -3.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0158 -5.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7539 -1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 0.0228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7539 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7460 1.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2460 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9920 2.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2381 3.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7381 3.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9841 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7302 6.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2302 6.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9841 5.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4841 5.2372 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -11.9999 0.0365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.2967 0.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7032 -0.7174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7539 -1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0079 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7618 -3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2618 -3.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0078 -2.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2539 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0374 -0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3968 1.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0968 1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -3.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0532 -4.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -6.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9784 -5.7902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5491 -2.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8828 -1.6855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8968 1.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6171 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9508 2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9136 1.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9089 3.4087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1413 2.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7841 5.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1270 7.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8270 7.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8079 -2.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1650 -4.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8650 -4.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2078 -2.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8507 -0.2146 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END