BS6RN3 -OEChem-04022113323D 50 51 0 1 0 0 0 0 0999 V2000 2.1397 -1.8457 1.0950 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3232 1.0721 -0.3700 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4007 1.7046 -1.8552 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1089 -0.3304 -0.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8505 1.9628 0.7157 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -2.5834 0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -2.2610 2.4766 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 -0.1946 1.0564 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 0.5769 -0.2022 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5910 1.7438 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0602 2.9610 0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1932 2.1773 -1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 -1.8522 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0289 -1.8573 -0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3932 -1.8600 -1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 -1.9969 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5996 -1.7100 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 -1.9993 -1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 -1.7125 0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 -0.4635 -1.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9532 0.5108 -0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1093 0.6183 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 1.3039 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1557 1.5190 1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8896 2.2044 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0459 2.3119 1.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3842 -0.0830 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 1.3773 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 0.3466 1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 3.4949 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 2.6778 1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 3.6731 0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0324 2.6215 -2.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 2.9230 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 1.3256 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 -2.5127 -2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 -2.3161 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 -2.1108 -1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5038 -1.5890 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -0.5590 -2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -0.0511 -2.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -2.1104 -2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 -1.6076 1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 2.0806 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0866 -0.3199 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9794 0.0041 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9383 1.2374 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0557 1.6023 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0252 2.8221 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0817 3.0130 2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 3 44 1 0 0 0 0 4 45 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 M END $$$$