BS6A1U -OEChem-04022106053D 53 55 0 1 0 0 0 0 0999 V2000 -0.9974 3.1225 -0.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -3.0452 0.5328 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2676 -1.2265 -0.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4741 1.6120 0.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 -3.7918 -0.1569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 0.2661 -0.2154 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9986 0.7572 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3033 2.1225 1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 0.8912 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 1.9484 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8358 -1.2505 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 0.5822 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 2.7112 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 2.3948 -0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 1.3380 -1.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 -1.7974 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5616 3.6870 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0686 3.8142 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 2.4705 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 0.2703 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1136 -0.2789 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5713 -0.5455 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2094 -2.4599 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0249 -1.6439 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 -1.9106 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -4.4385 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6837 -5.5994 -0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 0.7220 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5232 0.0660 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 0.8217 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 2.3125 2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 2.9313 1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 -1.5809 -1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -1.6950 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -0.2224 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 3.5429 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 1.1051 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 4.6834 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 3.0742 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4805 4.2615 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2959 4.4828 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9598 -3.4286 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 2.0685 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8123 2.6104 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7828 0.3150 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -0.1229 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5979 -2.0679 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 -2.5145 1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -4.8059 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 -3.7633 0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 -6.3086 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6526 -5.2490 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 -6.1259 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 42 1 0 0 0 0 3 16 2 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 23 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$