MMs00031706 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 -1.5000 0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5068 -2.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7466 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 -1.3050 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -3.9892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4919 -4.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 -5.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7288 -3.5805 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7288 -4.7805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9702 -4.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3202 -3.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4287 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1874 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8375 -2.0831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1745 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5616 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4531 -6.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9115 -3.9551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9115 -5.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2341 -4.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3158 -3.6235 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.6617 -2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0973 1.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 -3.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -4.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1346 -5.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6735 -5.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5923 -2.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9197 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0232 -0.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4845 -0.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5604 -5.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1513 -5.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7904 -1.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3744 -1.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1758 -2.4785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3444 -1.6132 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 M END