MMs02508935 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 81 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 0.7538 1.2968 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4462 1.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 2.5981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5924 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 3.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2614 3.8905 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0076 2.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 4.6367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6018 5.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8594 3.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8551 2.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 4.6291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1642 5.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4575 3.8753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4575 5.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7587 4.6215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7587 3.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0556 3.8677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0948 3.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3568 4.6139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9364 4.7692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3612 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0643 6.8677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0251 7.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7631 6.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 8.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7719 9.1215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7327 9.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7763 10.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0775 11.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 8.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 9.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1150 7.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 6.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6536 3.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6493 2.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0512 2.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4531 2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 6.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 5.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9689 6.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 2.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -1.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 3.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 1.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6593 8.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4824 9.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5939 10.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3691 11.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0810 12.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7769 10.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1364 9.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 8.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1525 6.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7180 8.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5962 7.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8594 5.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0612 6.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8647 7.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4493 2.3637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6457 1.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8493 2.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5186 0.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9759 0.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5295 6.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 7.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 6.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3659 5.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 3.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6924 2.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 1.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 46 1 0 0 0 0 6 7 1 0 0 0 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