MMs03715576 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 64 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 1.4751 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 -1.6860 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7767 -1.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0033 -2.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -1.9584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1412 -0.7993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9534 -3.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4285 -3.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8298 -4.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8178 -3.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -4.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4252 -0.8172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9002 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 0.0517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7146 0.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5225 1.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9422 1.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3691 -0.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1537 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 -2.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6532 -1.3032 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0532 -2.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4378 -2.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9372 -2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7229 -3.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3680 0.0155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8675 0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6521 -1.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5824 1.3744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1824 2.4137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7978 2.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 0.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 -0.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0903 -2.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2245 -3.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 -3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0239 0.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3916 1.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0052 2.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0699 3.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6709 3.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6213 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9972 0.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0378 -3.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9694 -3.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1368 -2.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9050 -1.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6679 -3.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1510 -4.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7778 -4.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8205 3.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1701 3.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 2.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0818 1.4147 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.1140 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2814 1.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0496 2.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 13 14 1 0 0 0 0 13 43 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 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 61 64 1 0 0 0 0 M CHG 1 61 1 M END