BC4KI8 -OEChem-04042102073D 55 58 0 0 0 0 0 0 0999 V2000 9.4693 0.3278 0.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3156 2.7016 0.3812 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 1.8012 0.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 -2.0763 0.8452 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7794 -0.3026 -0.5538 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 -0.0790 -0.9101 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 0.1223 1.0763 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -0.9160 0.1422 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 -3.8739 0.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1803 1.0640 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6499 -1.2774 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 -0.5389 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6491 1.2828 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1078 -1.0032 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 0.1346 -1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 0.9628 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6165 -0.4043 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3301 0.7793 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9438 0.4135 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0211 1.3834 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3565 -0.2329 1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -0.8769 0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4021 1.9205 0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6419 1.4684 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5793 -1.2967 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2203 -0.0053 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 0.8749 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -0.6743 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1026 1.0861 -0.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7453 -0.4632 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.7190 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8251 0.4169 -2.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0377 1.2305 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5939 1.8143 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3964 -2.2966 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5215 -1.2135 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 -1.6154 -0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 -0.2098 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9655 2.2795 -0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8213 1.2155 -1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2961 -1.1488 -1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7614 -1.6899 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 1.2144 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6316 -0.2812 -2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -0.9057 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7106 0.3435 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4312 -1.2886 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1926 2.9835 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 2.1640 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5279 1.4036 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1123 -1.3700 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 2.8258 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9433 1.7714 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5305 -0.9855 -3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4501 0.5809 -2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 20 1 0 0 0 0 2 52 1 0 0 0 0 3 18 2 0 0 0 0 4 22 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 45 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 24 1 0 0 0 0 8 19 1 0 0 0 0 8 25 2 0 0 0 0 9 31 3 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 32 2 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$