BH17PJ
-OEChem-04022104343D
40 42 0 1 0 0 0 0 0999 V2000
0.9275 -1.2702 -0.9517 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9931 -4.1216 -0.6259 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6332 -1.1249 0.1777 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7799 0.1354 -1.0575 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2770 4.0862 0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 -0.6389 2.2199 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5912 0.2153 -0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0299 2.1017 -0.1413 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5177 -3.1758 0.3295 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3510 -2.3913 -0.2544 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5659 -2.1112 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3104 -1.1474 -0.5900 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5896 -1.8460 0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8643 0.7632 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6112 0.9910 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7841 2.2655 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0855 2.9158 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5667 -0.5686 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6002 0.1538 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8828 0.2344 0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2461 0.7224 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8539 0.9131 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2173 1.4014 -1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5211 1.4966 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2555 -3.7275 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2126 -2.9715 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3948 -1.6258 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5944 -2.4854 0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8996 -1.4412 -1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0700 -1.1982 1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0265 -2.6844 1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7713 -4.5588 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 0.5400 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9375 2.5179 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9957 2.8426 1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1548 -0.2185 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2352 0.6741 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8693 0.9869 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9578 1.8586 -2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2770 2.0257 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 12 1 0 0 0 0
2 9 1 0 0 0 0
2 32 1 0 0 0 0
3 13 1 0 0 0 0
3 18 1 0 0 0 0
4 14 2 0 0 0 0
5 17 2 0 0 0 0
6 18 2 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
7 15 1 0 0 0 0
8 14 1 0 0 0 0
8 17 1 0 0 0 0
8 34 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 25 1 0 0 0 0
10 13 1 0 0 0 0
10 26 1 0 0 0 0
11 12 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
15 16 2 0 0 0 0
15 33 1 0 0 0 0
16 17 1 0 0 0 0
16 35 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 36 1 0 0 0 0
21 23 2 0 0 0 0
21 37 1 0 0 0 0
22 24 2 0 0 0 0
22 38 1 0 0 0 0
23 24 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
M END
$$$$