MMs02728365 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 67 0 0 0 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 0.7414 -1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 -2.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 -3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -3.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 -5.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -6.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4657 -5.2256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2243 -3.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4657 -5.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4828 -2.6473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9827 -2.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8724 -1.4495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2860 -3.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 -3.8765 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5152 -1.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8814 -1.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0284 -3.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1007 -0.7941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 -1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6863 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3565 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4646 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8455 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3548 -2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 -6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1973 -8.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 -7.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 -0.2785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 -2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -4.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 -2.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 -3.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 -2.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8896 -1.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2522 -4.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6575 -0.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1927 -0.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9832 0.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7895 -2.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3247 -2.2525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8286 0.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3639 0.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2536 0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6576 0.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1763 -0.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4999 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9843 -3.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5883 -3.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3469 -3.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1606 -2.7455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1679 -7.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 -8.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 -9.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2786 -6.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2665 -8.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0526 -1.1587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 M END