MMs03956806 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 44 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 1.4879 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 -2.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 -3.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6511 -3.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 -1.9177 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2168 -0.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0801 -1.4341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2168 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9376 1.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6327 -0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 -2.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7695 0.0283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1854 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3221 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0429 1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7381 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 1.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 0.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 -1.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4308 1.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6584 0.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 -3.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3339 -2.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 -4.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8443 -5.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9965 -4.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -3.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 -0.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2509 0.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3035 -2.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5461 1.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5987 -1.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1144 -1.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1707 1.3604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2219 2.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8195 3.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8639 1.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3420 -1.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8708 -0.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1341 1.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 -1.5734 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8675 -1.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 43 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END