MMs02556646 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 -0.7399 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 -1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -2.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7599 -1.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 0.0581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0998 -0.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7397 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0329 2.1113 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.9797 2.6445 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4465 0.5913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 0.0697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7598 -1.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0199 -2.5283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.2597 -1.2118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0198 -2.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2799 -3.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0399 -5.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5399 -5.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2798 -3.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5197 -2.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2596 -1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4996 0.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1319 2.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8318 2.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -2.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1681 -2.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2823 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0621 0.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3679 -2.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5917 1.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8517 -0.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0799 -3.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4480 -6.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1479 -6.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4797 -3.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7596 -1.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.3515 -0.1331 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 43 44 1 0 0 0 0 M END