MMs02509287 MOE2007 2D CORINA 3.40 0006 02.08.2006 90 91 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 1.1365 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 0.4841 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7040 -0.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 1.4630 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9997 0.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5462 3.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1052 0.9682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 1.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9622 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6577 1.4523 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8092 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0897 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5894 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0842 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9234 3.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2386 4.5279 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2778 5.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2716 6.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9894 6.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6742 6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 6.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 8.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7402 9.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0224 8.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5208 3.7495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8361 4.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8691 5.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1183 3.6923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1575 3.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0853 2.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3675 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3345 -0.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6827 2.1355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4335 4.4135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4665 5.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1843 6.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7818 6.6344 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.8210 7.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0640 5.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3792 6.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6614 5.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4122 8.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9092 -0.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 -0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 1.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 2.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 -1.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 -2.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 -0.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3287 -0.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9108 -0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1889 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4377 -1.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7574 -0.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1694 0.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7069 2.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5379 4.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7373 3.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4485 5.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7068 7.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6478 4.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3398 6.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 8.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7666 10.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0746 8.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4944 2.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9084 2.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6501 1.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7085 1.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7091 3.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4593 3.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2726 4.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8149 4.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4184 7.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0387 4.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6872 5.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2842 6.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6119 8.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4386 9.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2125 8.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8670 8.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9936 3.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8904 2.3071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8148 8.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7890 8.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 4.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 49 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 6 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 86 1 0 0 0 0 10 11 1 0 0 0 0 10 54 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 87 1 0 0 0 0 15 16 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 17 87 1 0 0 0 0 18 19 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 18 87 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 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