MMs02388539 MOE2007 2D CORINA 3.40 0006 02.08.2006 83 88 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 1.1036 -1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 -2.3768 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3345 -3.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 -2.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 -0.7255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8238 0.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 0.0046 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 -1.0151 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0243 -1.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 -2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5315 -3.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5772 -0.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8226 -0.0037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1693 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2706 -2.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4148 0.1716 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3135 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5590 2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5198 3.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9057 1.8436 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9057 3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1511 2.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4978 2.0189 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5371 1.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5991 0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3536 -0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0069 0.3470 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7615 -0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8627 -1.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1082 -1.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4549 -1.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9458 -0.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0470 -1.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1912 0.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0900 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3354 3.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6821 2.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7834 0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5379 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6392 -1.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7433 2.8549 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4039 4.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9073 4.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7032 4.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1110 4.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9668 2.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 -3.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 -3.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 -1.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 0.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 0.8127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8127 -0.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4088 -1.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8696 -1.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7416 1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7353 3.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8587 3.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6469 -1.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5322 -2.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2544 4.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6785 3.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8607 0.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7165 -1.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4813 3.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9324 5.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3265 4.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4358 5.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0376 4.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6995 5.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0344 5.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6395 5.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0337 5.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5826 3.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3756 0.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7203 -0.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 -1.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1151 -2.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2305 -0.1791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 1.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4577 4.0008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 -4.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 -6.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 48 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 79 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 13 79 1 0 0 0 0 14 15 1 0 0 0 0 14 56 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 29 1 0 0 0 0 17 75 1 0 0 0 0 18 19 1 0 0 0 0 18 47 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 81 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 2 0 0 0 0 33 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 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 40 41 1 0 0 0 0 41 64 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 65 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 44 68 1 0 0 0 0 45 69 1 0 0 0 0 45 70 1 0 0 0 0 45 71 1 0 0 0 0 45 81 1 0 0 0 0 46 72 1 0 0 0 0 46 73 1 0 0 0 0 46 74 1 0 0 0 0 46 81 1 0 0 0 0 48 49 2 0 0 0 0 48 82 1 0 0 0 0 50 76 1 0 0 0 0 50 77 1 0 0 0 0 50 78 1 0 0 0 0 79 80 1 0 0 0 0 82 83 1 0 0 0 0 M END