BH53MB
-OEChem-04012113022D
46 48 0 0 0 0 0 0 0999 V2000
3.8968 -3.3802 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 3.7767 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3799 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 3.5554 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5100 -0.0285 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8968 -3.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8968 -3.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 0.6198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.2076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -4.3802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3968 2.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7058 1.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9846 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 2.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5778 3.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1656 4.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4000 1.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8648 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3511 1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8158 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5590 0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4153 2.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4986 3.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1472 4.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0639 3.5345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -0.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -0.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6672 4.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 5.1918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6640 5.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2711 2.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 -0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8118 1.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9448 -0.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3599 -4.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4337 -4.6902 0.0000 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
$$$$