MMs00029857 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 66 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 0.6101 -1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -2.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8303 -4.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2038 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 -4.4245 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6624 -3.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0639 -5.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0676 -6.8383 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9085 -7.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 -6.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2811 -4.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7369 -6.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7369 -8.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 -6.9782 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6340 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9331 -6.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9331 -8.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2321 -6.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3889 -4.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8561 -4.4245 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0076 -3.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6061 -5.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6024 -6.8383 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7616 -7.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9143 -8.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7996 -9.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4662 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9580 -2.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8397 -4.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5681 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0599 -1.3703 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.6700 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 -8.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 -9.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 0.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 1.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0963 -0.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 -0.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -1.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9091 -2.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0931 -5.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2609 -6.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 -3.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 -4.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 -5.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8073 -5.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8627 -5.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4054 -5.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1889 -4.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2635 -3.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5770 -5.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4091 -6.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7609 -2.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4038 -1.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6518 -0.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7663 -0.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1581 1.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5738 0.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3409 -8.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -8.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -9.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5904 -9.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 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 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 62 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 37 2 0 0 0 0 36 63 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 M END