MMs03916255 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 67 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 -1.5000 0.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 -1.2813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2806 -3.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0205 -2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 -1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2397 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 -1.2694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1601 -0.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 -0.0490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4807 0.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0624 -0.5013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2215 -0.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0742 -2.0012 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7636 -3.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6513 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2947 -2.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6601 -2.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8806 -3.1245 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -9.0085 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1010 -3.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4665 -3.3757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.4665 -4.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7668 -1.9061 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.0773 -0.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2573 -1.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -15.4573 -1.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8781 -3.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7714 -4.1155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.9305 -4.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9399 -5.6060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8331 -6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4540 -7.9839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.9445 -7.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2448 -6.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6677 -5.8710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.7903 -6.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4900 -8.3355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.0671 -8.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7668 -10.2799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.9970 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4970 -0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.0887 0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7543 -0.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1161 0.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2689 0.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1341 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1575 1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9534 2.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 1.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8315 -2.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8479 -0.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -3.7137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9735 -3.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6574 -6.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9286 -6.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6649 -11.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6285 -10.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8662 -0.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1961 0.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7526 -1.9041 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 63 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 58 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 59 1 0 0 0 0 41 60 1 0 0 0 0 42 43 1 0 0 0 0 42 61 1 0 0 0 0 42 62 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 63 -1 M END