BJ13ED -OEChem-04022111563D 55 58 0 0 0 0 0 0 0999 V2000 0.9870 4.0098 0.3345 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.9783 2.3371 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 4.8607 0.9423 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1752 4.5339 -0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -2.2277 -1.9592 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -2.8823 -0.5263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 3.4611 1.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 2.1114 0.0461 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 0.1362 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1023 0.8909 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 -1.1622 1.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8242 0.4642 -1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 2.2637 1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -2.2794 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4137 -1.2999 2.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 0.1976 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 0.3159 -2.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1879 0.6095 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 2.5736 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4551 1.8494 0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -0.2356 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 -3.5342 1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -2.5546 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8928 -0.2173 -2.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8618 -0.0989 -3.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4266 -1.4098 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 0.2803 1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5751 -1.7391 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5727 -3.6718 2.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 -0.3656 -3.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -0.8941 0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 -1.8188 -2.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4254 -3.1452 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 3.4390 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 -2.1952 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7154 -0.4424 3.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7324 0.3174 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 0.5168 -2.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 2.3217 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5264 2.1739 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 0.0425 -1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 -4.4043 0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 -2.6616 3.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 0.9292 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9572 -0.4227 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3442 -0.2151 -4.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9749 -4.6487 2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7748 -0.6884 -4.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 -1.0852 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 -2.5821 -3.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -0.8755 -3.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 -1.7874 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8447 -4.0925 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1778 -3.2838 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1949 -2.3806 0.1041 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 7 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 5 26 1 0 0 0 0 5 32 1 0 0 0 0 6 28 1 0 0 0 0 6 33 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 0 0 0 0 15 23 2 0 0 0 0 15 36 1 0 0 0 0 16 24 1 0 0 0 0 16 37 1 0 0 0 0 17 25 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 26 1 0 0 0 0 21 41 1 0 0 0 0 22 29 2 0 0 0 0 22 42 1 0 0 0 0 23 29 1 0 0 0 0 23 43 1 0 0 0 0 24 30 2 0 0 0 0 24 45 1 0 0 0 0 25 30 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 27 31 2 0 0 0 0 27 44 1 0 0 0 0 28 31 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$