MMs02487421 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 62 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 0.7458 -1.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0098 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2457 -1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 -2.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7457 -1.3210 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9457 -1.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0293 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 1.2673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0084 2.5590 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6084 3.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5084 2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2626 3.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2542 1.2526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7541 1.2477 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1541 0.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5084 2.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0084 2.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7626 3.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7541 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4999 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9999 -0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5966 1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 -1.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 -3.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 -3.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 -2.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -1.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3737 0.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 1.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0419 0.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3805 0.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6508 0.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3821 2.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7206 3.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2084 2.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7999 3.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3660 4.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7253 4.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7130 0.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3507 0.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7953 1.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 2.5883 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.7457 -1.3503 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.2626 3.8605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8660 4.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0626 3.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 -2.6225 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4503 -3.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0881 -3.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 -2.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 55 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 60 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 57 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 M CHG 1 55 -1 M CHG 1 56 -1 M CHG 1 60 1 M END