MMs02594515 MOE2007 2D CORINA 3.40 0006 02.08.2006 33 35 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 0.7564 -1.2953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1531 -2.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -3.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 -1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7159 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 -1.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 -3.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8237 -1.8329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1283 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8256 0.3794 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4956 0.2527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7135 -0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5641 -2.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7819 -2.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -2.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2986 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0808 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2302 1.4864 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6325 -4.4837 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 0.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -0.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0195 -2.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1532 -4.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -3.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 0.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 1.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4702 -2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1235 -3.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3925 -0.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 M END