B7GQ1B -OEChem-04022113513D 42 45 0 0 0 0 0 0 0999 V2000 -6.4651 0.3959 0.0790 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 -2.6032 0.2479 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0725 -0.7751 -0.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8512 0.7846 1.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 -0.2538 -0.0802 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4278 -0.7869 0.1144 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 0.8027 -0.1708 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -2.1099 0.2885 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6742 1.7367 -0.9591 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -1.6126 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1135 -0.4453 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -0.0976 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 -1.5813 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 0.8614 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3819 -2.6095 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 0.0775 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7581 -0.7688 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 0.7253 0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 0.2059 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2439 2.2213 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1442 -0.6171 -0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 0.8770 0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3941 1.3967 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 -0.3775 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4869 2.2610 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8311 0.4867 -0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7053 1.8059 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 -3.6736 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3165 -1.4041 -1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 1.2405 1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 2.1397 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5088 2.8406 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5331 2.7232 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7473 -1.1422 -1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3646 1.5244 1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 1.7879 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8655 -1.3966 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3938 3.2845 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7796 0.1333 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5570 2.4780 -0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1002 1.5662 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9476 2.6310 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 14 20 1 0 0 0 0 15 28 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$