MMs01785259 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 55 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 1.4999 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 -1.2672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7608 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -2.5470 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4218 -3.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5219 -2.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 -3.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7828 -3.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2828 -3.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2959 -4.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1518 -6.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3728 -7.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7378 -6.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8820 -5.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6610 -4.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4915 -2.8210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3765 -2.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0217 -2.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 -1.2290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4607 -1.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2386 1.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4776 2.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9776 2.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2387 1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2165 3.9925 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 1.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 0.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1368 -1.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -2.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3688 0.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 1.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6587 -4.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0012 -5.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0597 -6.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2575 -8.4919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7146 -7.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9740 -4.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1084 -0.9450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4385 1.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3688 3.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6387 1.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 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 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END