MMs02011590 MOE2007 2D CORINA 3.40 0006 02.08.2006 28 30 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 -1.5000 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 1.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7524 1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6364 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 2.0377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0593 0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 0.0769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2712 -0.3462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6426 0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8022 1.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8545 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8517 -2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2774 -2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1613 -1.3769 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.2819 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7481 1.2640 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -11.7383 -4.0162 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 -1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 -1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 3.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 1.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2677 3.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1435 -1.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8795 -2.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 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 27 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END