B1IB2N -OEChem-04022117373D 46 49 0 1 0 0 0 0 0999 V2000 7.3326 -0.0454 0.6906 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8121 -1.2505 0.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 0.0377 -0.4852 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9535 -0.5113 1.8396 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 0.6777 -0.1858 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4779 -0.6482 0.3843 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4246 0.7945 0.0335 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7268 -0.3598 -0.7510 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8664 -1.7896 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8715 1.7394 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -1.7433 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 2.1324 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9578 -0.3824 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2565 1.1074 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -0.8677 1.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -0.2615 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6209 2.2283 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 0.9768 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -1.3727 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 1.0597 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -1.2741 -0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6065 -0.0594 -0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 -0.1882 0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 0.6873 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 0.7022 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9441 -0.2119 -1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 -2.7598 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1978 -1.7335 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6787 1.9324 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 2.6930 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 -2.0369 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9614 -2.5130 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 2.9747 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 2.2278 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6733 1.3798 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9432 1.3736 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 -0.0805 2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7492 -1.8102 2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2279 -0.9198 2.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 2.4351 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 3.0792 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -2.3377 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2895 2.0099 -0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6135 -2.1527 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -0.6813 2.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 -0.5959 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 13 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$