MMs03916341 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 68 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 -0.5595 -1.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -2.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 -0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 0.2113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9071 -1.0712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 -2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 -3.3231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 0.0795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4693 -0.9597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 1.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 2.3314 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7354 2.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9253 1.3692 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2359 2.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3658 -0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3802 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8788 1.0227 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.3336 1.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2442 -0.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6868 -0.8431 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8383 -1.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8672 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1122 -0.7543 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1122 0.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7012 -2.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2022 -2.2518 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8022 -3.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3656 -3.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0254 -4.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3561 -5.8399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5209 -0.2389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9319 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4309 1.2586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9463 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7659 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9772 -2.5606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3689 -3.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5493 -2.1946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3380 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5185 0.2160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8767 3.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 4.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1936 -3.9639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3858 -2.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 1.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 2.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8902 2.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3739 2.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0322 0.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6370 1.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5009 -2.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3959 -4.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1915 2.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5379 -4.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6319 -0.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3494 1.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3816 -4.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 -4.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5135 2.4775 0.0000 O 0 5 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 47 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 46 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 44 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 51 1 0 0 0 0 18 52 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 29 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 57 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 58 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 59 1 0 0 0 0 43 60 1 0 0 0 0 44 45 1 0 0 0 0 46 61 1 0 0 0 0 46 62 1 0 0 0 0 M CHG 1 63 -1 M END