BCHG98 -OEChem-04022103083D 41 43 0 0 0 0 0 0 0999 V2000 0.0685 0.4488 0.5115 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2727 1.3824 -1.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 0.5331 0.8843 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 -2.5337 -1.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9943 0.0056 -0.1705 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -0.7730 -0.4388 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 1.1166 0.8572 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -0.9462 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 -0.9513 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -1.4665 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3865 -0.0205 -1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 0.4790 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2758 -1.3724 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1873 0.0529 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5131 -0.8728 1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0688 -1.5377 -0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 0.3096 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0003 0.8352 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 1.3874 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 0.0043 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9671 1.1087 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 -0.2747 1.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 0.2776 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9978 2.7619 -1.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9000 0.0460 2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -2.3572 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9546 0.3163 -2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -2.0939 1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8892 -1.2485 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 -1.0314 -0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 2.0364 -1.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 -0.4303 2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 1.5452 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6135 -0.9229 1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 3.3545 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 2.9765 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2765 3.0415 -0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8667 0.5324 2.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 -1.0323 2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 0.3285 2.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2621 0.4694 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 24 1 0 0 0 0 3 14 1 0 0 0 0 3 25 1 0 0 0 0 4 16 2 0 0 0 0 5 23 1 0 0 0 0 5 41 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 29 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$