MMs01413213 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 53 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 -1.5000 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 -1.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 -2.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 -3.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -5.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 -3.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 -5.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 -5.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 -6.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 -3.8765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7653 -3.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5204 -5.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 -2.5686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0101 -2.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7550 -1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1395 0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2503 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2462 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 -3.9059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7347 -3.9118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7406 -2.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7288 -5.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2346 -3.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9897 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4897 -2.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2346 -3.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4795 -5.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9795 -5.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7346 -3.9354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 1.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 -1.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9551 -1.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8944 -5.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 -6.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6612 -2.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9061 -1.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 -3.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1394 -2.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9648 0.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1202 2.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6466 0.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6306 -4.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 -1.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0938 -1.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0754 -6.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3755 -6.2566 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 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 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 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 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 M END