DR0045 -OEChem-05042003253D 50 52 0 1 0 0 0 0 0999 V2000 2.5774 0.5195 -1.7560 S 0 3 2 0 0 0 0 0 0 0 0 0 -0.3822 0.9094 -0.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 2.8305 1.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 3.4810 0.5968 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8896 0.2448 0.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 -1.2381 1.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 0.0381 -0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 -2.0828 0.4645 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6957 0.8056 -0.5558 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 -3.0820 -0.0868 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3267 -0.9824 -0.2413 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7001 -3.1857 0.4511 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 1.5820 -0.1162 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0168 1.7958 1.2564 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4301 2.1021 0.9181 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6719 1.2582 -0.3346 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8963 0.7437 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 0.1647 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 -0.1183 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -1.1704 0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 -1.3135 -0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8318 2.2744 -2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -1.4388 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8474 -1.6607 -0.4273 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3615 -1.8631 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 -0.8928 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9394 0.2786 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 2.5580 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 0.8704 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 1.8806 1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 1.8140 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 1.2183 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 -0.2596 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 0.8204 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 0.4058 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 2.9852 2.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 3.6973 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -1.3304 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -1.5781 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 -1.9246 -1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2211 2.8060 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8932 2.7232 -2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 2.3628 -2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5814 -1.4553 -1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 -3.3103 0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6919 -3.6402 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7379 0.9566 -0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6697 -3.4698 0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 -3.8446 0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 0.7525 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 36 1 0 0 0 0 4 15 1 0 0 0 0 4 37 1 0 0 0 0 5 26 1 0 0 0 0 5 50 1 0 0 0 0 6 26 2 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 20 2 0 0 0 0 8 23 1 0 0 0 0 9 19 2 0 0 0 0 9 27 1 0 0 0 0 10 24 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 25 1 0 0 0 0 11 27 2 0 0 0 0 12 25 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 1 1 M END $$$$