MMs02616739 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 43 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 -0.7397 -1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0446 -0.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 -2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4793 -2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9793 -2.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 -1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 -3.9268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2189 -3.9387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6189 -4.9779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9792 -2.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4791 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2394 -1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7394 -1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4790 -2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7187 -3.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2188 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9790 -2.6933 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.7393 -1.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7186 -3.9983 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9585 -5.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1982 -6.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6983 -6.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -0.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 0.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 -0.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 0.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 -1.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -3.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6093 -2.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1107 -4.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8548 -2.2263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1969 -1.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6477 -0.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3476 -0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3105 -5.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6105 -4.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8839 -4.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8716 -6.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9379 -7.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3297 -8.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 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 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 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 33 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 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END