MMs01879438 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 53 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 -0.7438 -1.3026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4562 -1.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0123 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -3.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 -1.3097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 1.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8999 1.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2438 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7438 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0999 -1.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7561 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2561 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 -0.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7560 1.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2560 1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9999 -0.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0122 2.5412 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.6122 3.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5122 2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2683 3.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7683 3.8225 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -16.5244 5.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 -2.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1142 -1.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 -2.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5298 -2.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8694 -1.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8856 1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5533 2.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1304 1.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4701 2.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7859 -1.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1256 -0.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1610 2.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2982 1.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6378 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1426 4.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4823 5.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4880 5.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1293 6.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5608 4.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0683 3.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 -2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2683 3.8438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8732 4.8802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 -3.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 50 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 49 51 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 M END