MMs03082197 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.4454 -0.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 1.0086 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5585 2.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4576 0.9561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.4858 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1816 -1.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 -1.3245 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3129 -0.0724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1614 0.7761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8995 1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6268 2.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6248 -0.7997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9106 -0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2225 -0.7545 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3739 -1.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8202 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1060 0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0799 1.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4822 1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2486 -2.2543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5604 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 2.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 1.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -1.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6457 -1.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8410 -1.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1555 -0.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1085 2.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7471 3.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4327 2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5813 -4.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5891 -2.3636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 -0.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 -2.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 3.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 43 44 1 0 0 0 0 M END