MMs02504239 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 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 0.7495 -1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 -1.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -3.8979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -3.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 -5.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 -6.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 -5.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2486 -3.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -2.5997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7157 -4.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8719 -5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5014 -6.3129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8308 -3.2082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1413 -4.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6745 -1.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0451 -1.1067 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1965 -0.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0483 -2.2218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6483 -1.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 -3.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5402 -2.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4214 -3.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9133 -3.1232 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.7570 -1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3575 0.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4989 0.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0395 0.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5996 1.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0395 -0.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3783 -1.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 -2.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8499 -0.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 -6.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5006 -1.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3041 -0.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 -0.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6189 -1.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4051 -2.9670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.0695 -4.6150 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 40 -1 M CHG 1 41 -1 M END