MMs02908197 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 62 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 1.1439 -0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6013 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -3.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -2.4661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 -3.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2007 -4.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -5.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 -4.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -3.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 -4.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8851 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5354 -3.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7305 -0.7651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2263 -0.8778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0717 0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4214 1.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5675 0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4129 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9087 1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5590 0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7136 -1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2178 -1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0548 -0.0893 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9421 -1.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1674 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5505 -0.2019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3960 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8917 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7372 2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0868 3.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5911 3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7456 2.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9323 4.7543 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 0.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 0.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -0.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8558 -5.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -6.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 -5.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8985 -2.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 -1.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -4.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 -5.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -4.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 0.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7465 -1.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8926 2.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 2.3663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2338 -2.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5415 -2.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0708 -1.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4120 -0.1568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9338 2.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0708 4.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5490 2.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 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 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 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 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 M END