BS0W4I -OEChem-04012113462D 52 56 0 0 0 0 0 0 0999 V2000 11.4550 0.4166 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3583 -0.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0036 -0.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8907 -1.7856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8848 -1.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4044 0.8122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 0.7038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7406 2.2878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0811 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5811 -0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1928 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0537 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1444 -0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 0.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9524 -1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 0.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7624 -0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6085 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7129 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6634 -1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6140 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3088 -1.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0531 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7479 -0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 0.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0162 1.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5719 -1.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5945 2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5271 -2.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 1.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 -0.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 -0.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9513 -1.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0915 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 2.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 1.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3219 -2.0139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1019 -1.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0168 -1.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7967 -1.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3451 0.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5652 -0.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1620 -0.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2094 0.3293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3338 0.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 36 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 25 2 0 0 0 0 8 24 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 26 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 3 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$