MMs01460511 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 1.2976 -0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 -2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4938 -0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4909 -2.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0918 -0.7673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5519 1.4717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0197 1.7808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7673 0.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7614 -0.6325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0705 -2.1003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2587 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8662 -1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3577 -1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2417 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6342 1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1427 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5352 2.9040 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.7332 -0.1582 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0381 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2584 -1.3525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0948 -2.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -3.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 -2.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8285 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 0.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -1.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6653 -1.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1984 1.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0246 0.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5673 0.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1772 -2.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2111 -2.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1590 -2.0203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8437 -2.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3414 2.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 M END