BH53MB
-OEChem-04012113203D
46 48 0 0 0 0 0 0 0999 V2000
5.4619 -1.0939 0.1949 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.7610 -2.0759 -0.2581 F 0 0 0 0 0 0 0 0 0 0 0 0
-3.4482 -3.4974 -1.2379 F 0 0 0 0 0 0 0 0 0 0 0 0
-3.5324 -3.4172 0.9335 F 0 0 0 0 0 0 0 0 0 0 0 0
0.7800 5.4236 -0.2233 F 0 0 0 0 0 0 0 0 0 0 0 0
5.8409 -1.6383 1.4912 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9643 -1.7120 -1.0242 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4463 -0.8983 -0.0931 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1458 -2.0458 -0.0905 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8442 0.5712 0.1632 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5213 -0.2260 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2219 0.2244 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7539 0.5788 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4127 -1.6287 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3267 0.9523 1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7036 1.5705 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9477 -0.9444 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5026 -2.6204 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5724 -0.9312 1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6877 -1.0029 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5757 1.8127 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5097 2.2568 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3964 2.1858 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7189 -1.0366 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9648 -0.9774 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0802 -1.0492 -1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0086 3.5584 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1049 3.4874 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2988 4.1738 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5468 1.5053 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5177 0.0658 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5659 0.0397 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5715 1.4909 1.6727 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9958 -0.8839 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2015 -1.0119 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3610 2.7514 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3659 1.2887 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9552 2.0554 1.9797 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7440 1.7914 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5418 1.6643 -2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4412 -0.9595 2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6475 -1.0881 -2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1426 4.0930 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3444 3.9667 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1966 0.9961 1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2788 0.9444 -0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 10 1 0 0 0 0
1 24 1 0 0 0 0
2 18 1 0 0 0 0
3 18 1 0 0 0 0
4 18 1 0 0 0 0
5 29 1 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
8 17 1 0 0 0 0
9 14 2 0 0 0 0
10 45 1 0 0 0 0
10 46 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
12 16 1 0 0 0 0
13 15 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 18 1 0 0 0 0
15 21 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 22 2 0 0 0 0
16 23 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
19 25 1 0 0 0 0
19 34 1 0 0 0 0
20 26 2 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 27 1 0 0 0 0
22 39 1 0 0 0 0
23 28 2 0 0 0 0
23 40 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
27 29 2 0 0 0 0
27 43 1 0 0 0 0
28 29 1 0 0 0 0
28 44 1 0 0 0 0
M END
$$$$