B6B8GM -OEChem-04022101032D 44 47 0 1 0 0 0 0 0999 V2000 3.7730 -0.7365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7235 -1.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6799 3.0672 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 1.5188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 1.8235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 0.0188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 3.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7778 3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6719 2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 0.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 3.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4838 -1.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 -2.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1731 -2.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 -3.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6618 3.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 2.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1751 4.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3769 4.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8764 1.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2835 2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8558 3.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 3.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2399 4.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 -1.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 -2.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5664 -2.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2335 -3.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 -4.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 17 2 0 0 0 0 7 14 1 0 0 0 0 7 16 2 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 16 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$