MMs00746954 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 0.7503 1.2988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2503 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0007 2.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4423 3.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 3.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8839 4.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 5.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8941 6.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 4.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 4.6348 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9905 0.9268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9093 1.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4219 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4574 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9803 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8991 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4117 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4472 -2.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9599 -4.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4370 -4.3457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4015 -3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8889 -1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 5.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 3.8969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 2.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 0.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6003 -1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 -0.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 2.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0657 4.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1429 6.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 7.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 2.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6808 2.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8676 -2.1324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 -1.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8994 1.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 0.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2655 -2.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1883 -5.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5832 -3.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6604 -0.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0408 5.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 6.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 4.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 2 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 M END