MMs01850406 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 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 1.1272 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3817 2.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2230 2.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6437 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9371 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8098 -0.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3577 -0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8033 -1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 -1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7846 -0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 0.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2169 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3189 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9886 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0906 -3.5112 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.7512 -0.5848 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.0815 0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4593 1.4712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3838 4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3213 2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8581 3.2951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0919 2.0056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4485 3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 0.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9018 -0.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -0.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 1.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 2.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0446 -2.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4874 -1.2463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0858 -2.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9963 -2.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4811 1.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2402 3.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3503 4.7462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6569 4.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5563 -2.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 1 20 -1 M END