m115.mol corina 12080917183D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 37 41 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3832 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 -0.6871 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 0.0262 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 1.4198 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1733 2.0964 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 2.1803 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8728 1.6724 -0.0352 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 2.6264 -0.0378 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 3.7813 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 3.5231 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 5.1176 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 5.2369 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7129 6.4876 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9212 7.6224 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5421 7.5113 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9472 6.2667 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -2.1647 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 -2.9283 -0.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9496 -4.1642 -0.0322 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -4.2385 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 -2.9768 -0.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1675 -5.4771 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 -6.7231 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -7.8756 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6774 -7.7986 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 -6.5670 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -5.4066 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -9.0619 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2371 2.0637 0.0191 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 8.9854 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4224 9.1464 -1.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 10.0619 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4454 9.1318 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 -9.8846 1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9862 -8.7029 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -9.8807 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 23 28 2 0 0 0 0 26 29 1 0 0 0 0 3 18 1 0 0 0 0 1 30 1 0 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 29 37 1 0 0 0 0 M END $$$$