MMs03806634 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 58 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 0.7450 1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -1.2729 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1550 -0.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5100 -2.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7651 -3.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0100 -2.5632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6060 -1.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 -3.8593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3650 -2.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0201 -5.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -6.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0301 -7.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2650 -3.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0200 -5.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0100 -2.5516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5100 -2.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2549 -1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 -1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5099 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7650 -3.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 -3.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1409 2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 2.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -2.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 1.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 0.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -1.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 -2.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0978 -4.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 -5.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6914 -5.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6973 -7.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 -6.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1139 -8.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4060 -1.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6509 -0.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3509 -0.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7099 -2.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3690 -4.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6690 -4.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7852 -9.0554 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7483 -9.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3892 -10.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8221 -8.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0291 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5415 -0.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0959 1.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4584 0.6250 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 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 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 M CHG 1 50 1 M CHG 1 54 1 M END