B3SKQ1 -OEChem-04042107373D 32 35 0 1 0 0 0 0 0999 V2000 -0.6913 1.1648 2.1712 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3154 -0.0630 1.8495 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 2.9020 -0.8668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 -2.3403 -0.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2109 -2.5115 0.4346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -0.2350 0.0351 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 0.8464 -0.7231 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.1475 0.4957 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1199 -0.4218 0.0471 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4344 1.8457 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 1.7408 -0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -1.1307 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 -0.4748 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 0.7004 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -1.3517 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0334 1.1640 -1.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 -1.6465 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 0.7315 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -1.6237 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4204 -0.4443 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7002 2.3174 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 2.5885 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1603 -1.6642 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -0.8830 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0162 1.2214 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 0.3912 -2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 2.1259 -2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -2.5681 -0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 1.6451 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2533 -2.5289 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 -0.4471 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9372 -3.0928 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 15 1 0 0 0 0 5 32 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$