MMs01138589 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.3039 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 -2.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 1.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 2.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1862 1.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 3.7755 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7133 3.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 6.0788 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6073 6.0886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0073 7.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0802 4.6651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 4.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6179 5.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 2.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2608 2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3690 3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7985 2.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0119 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5823 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5496 0.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8711 -0.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 7.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9738 7.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 8.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2284 9.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7357 9.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8619 8.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 -1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 -1.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 -2.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 -3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5137 -2.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 -1.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7784 0.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 5.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9448 1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 4.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6850 3.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2691 -0.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 0.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6990 -0.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1283 -1.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0432 -0.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4691 6.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 8.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 10.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 10.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 8.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 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 41 1 0 0 0 0 10 42 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 26 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 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END