MMs02533859 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 68 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 1.3018 0.7452 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2625 1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -2.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8889 -2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8488 -3.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -3.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 -1.7541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3233 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 -2.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8415 -0.0914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6415 -0.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0073 1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9351 2.3339 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3427 1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2849 0.3168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4635 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8564 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -2.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4280 -3.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6066 -3.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3558 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5002 -4.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9205 -3.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 -3.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4758 -4.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 -5.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4283 -4.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0414 -0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 0.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 -4.0130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -4.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3226 -4.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 -3.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4059 -0.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 0.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -0.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 0.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5462 0.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1471 1.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6373 2.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5304 1.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2355 -4.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5495 -4.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9777 -3.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8272 -2.2160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0980 -0.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4129 -1.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5573 -3.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7579 -5.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9716 -4.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 -2.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7051 -4.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -6.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8663 -7.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6093 -5.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 2.9905 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 66 1 0 0 0 0 6 7 1 0 0 0 0 6 39 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 14 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 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 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M CHG 1 66 -1 M END