D0M3JI Wcorina 11010620243D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 41 43 0 0 0 999 V2000 0.0073 1.3610 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 5.8314 -1.1511 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0418 0.0816 -0.4785 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 1.6679 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3342 -0.4173 -0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 4.2701 -0.6266 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.0887 2.2095 -0.0668 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 3.4802 -0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 0.5123 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 2.9179 0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4692 6.5461 -1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 3.9096 1.4222 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 6.5199 -0.1335 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 5.7551 -2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 -0.6253 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 3.9137 -0.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9723 7.1927 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2263 6.4649 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 7.6685 -1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2348 7.7540 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4889 7.0258 -2.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5810 8.3727 -1.3260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 0.3783 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 -1.4280 -2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2967 -0.5289 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -1.2267 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9028 -2.1234 -2.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 -2.0208 -2.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 1.8888 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 7.2591 0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8309 5.9635 -3.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6279 8.2588 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0819 6.9588 -3.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 0.0202 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 -0.3315 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0187 1.3492 0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1415 -1.5082 -2.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4501 0.0909 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3374 -1.1524 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7521 -2.7476 -3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9893 -2.5656 -2.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 16 2 0 0 0 0 9 23 1 0 0 0 0 10 12 3 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 15 24 1 0 0 0 0 15 25 2 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 27 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 M CHG 1 6 -1 M END $$$$