MMs00702152 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.4853 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -0.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4721 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7968 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0686 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0156 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6909 2.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4191 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6121 1.5633 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6663 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 1.5341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 2.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3691 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 5.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2146 5.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6237 4.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 6.9258 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2679 -2.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -3.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 -2.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1675 1.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1883 -0.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1675 -1.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2428 -2.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8392 -2.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1284 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6485 3.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 1.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 4.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 6.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 4.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 1.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -4.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 -5.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 -4.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2343 3.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 24 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 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 43 2 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 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 13 -1 M END