MMs01454934 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 -0.7405 -1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -2.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 -1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8967 -3.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.6943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -4.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8363 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3735 -0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0509 1.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8035 -0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9108 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3408 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6634 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4481 1.1046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1255 2.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2328 3.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6627 3.1283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9854 1.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8780 0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7701 4.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4474 5.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2000 3.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4070 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6270 3.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1739 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6740 2.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9404 -1.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5733 -3.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 1.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 -3.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8853 0.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3918 0.4919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 -2.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2172 -1.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 1.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 1.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0162 2.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4821 3.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2818 4.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7884 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0946 2.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6287 0.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3224 -0.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8290 -0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3982 5.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7655 4.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8864 1.3093 0.0000 H 0 0 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 M END