MMs01788965 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 1.4161 0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -0.9691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5211 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8009 0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 -1.4536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9681 -0.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -2.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 -3.5285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8957 -2.3921 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4957 -3.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1175 -1.1098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0967 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7528 1.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4800 -0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3558 -2.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5883 -2.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9450 -2.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0691 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8366 0.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9608 1.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3175 2.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4258 -0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6583 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 -2.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3957 1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1329 -0.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3957 -1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 1.5416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 1.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6232 -1.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 -1.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 1.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 0.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 -2.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4890 -4.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9310 -2.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8294 1.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4028 2.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8056 3.3065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9743 -1.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6443 -1.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3423 0.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 -1.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8337 -2.9014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0126 -4.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -3.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -5.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 -4.8393 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END