MMs00030268 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 70 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 0.7471 -1.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 -2.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5117 -5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 -3.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 -2.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 -5.2029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 -5.2063 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8882 -6.2455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2412 -3.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7412 -3.9124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4882 -5.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7353 -6.5104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9353 -6.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 -6.5070 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8353 -7.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 -7.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4824 -7.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -3.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0453 -1.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3392 -3.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 -3.1712 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6400 -4.3712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6434 -1.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 -0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5422 -0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5456 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2482 1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9475 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8463 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9373 -3.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9339 -5.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2380 -3.1771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7446 -2.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 -3.8886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5117 -5.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5976 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0406 -0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 -1.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -6.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 -6.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 -6.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 -3.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4092 -4.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4057 -5.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 -8.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -8.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3365 -5.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4611 -1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2355 -0.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2401 -2.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5800 -1.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2509 2.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9096 1.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8490 2.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2759 -3.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2394 -2.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5496 -4.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1141 -6.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4739 -5.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 8 9 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 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 36 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 40 41 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 M END