MMs03608583 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 42 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 1.5000 -0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -1.3138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0414 -1.3138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 -1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4828 -2.6276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9828 -2.6374 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3828 -3.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7413 -1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2413 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 1.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7583 1.2152 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.3514 0.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3651 2.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5168 2.5290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1237 3.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3169 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7243 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9657 -5.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.0294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2938 0.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 2.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2232 1.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -3.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 -0.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9575 -0.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0251 -2.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3662 -1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8749 0.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2159 1.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0929 -1.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2242 -3.9512 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4829 -2.6079 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4476 -2.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 -3.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -3.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 40 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 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 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 37 38 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 M CHG 1 15 1 M CHG 1 39 -1 M CHG 1 40 1 M END