m114.mol corina 12080917183D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 39 43 0 0 0 0 0 0 0 0999 V2000 -0.0166 1.3765 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 1.2195 -0.6893 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.0239 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 1.4172 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1657 2.0894 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 2.1819 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 3.4903 -0.0144 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 3.8075 -0.0243 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 2.7141 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9002 1.6646 -0.0296 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 2.6465 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9787 3.8205 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3563 3.7502 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9893 2.5199 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2464 1.3526 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8682 1.4084 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 -2.1668 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 -2.9572 -0.0151 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -4.1835 -0.0305 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 -4.2247 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 -2.9513 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -5.4424 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 -6.7039 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9154 -7.8368 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -7.7248 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8937 -6.4777 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -5.3366 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 -8.9669 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2385 2.0557 0.0191 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4946 2.4510 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0496 3.1409 1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9380 0.9867 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0245 3.1554 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8272 -9.7850 -1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6253 -8.5704 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8565 -9.8063 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 2.2272 1.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 3.3404 -0.6643 O 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 30 38 2 0 0 0 0 30 39 1 0 0 0 0 M END $$$$