BGCZ96
-OEChem-04022105533D
39 41 0 0 0 0 0 0 0999 V2000
4.5183 -0.6602 0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0
4.9945 -1.2160 1.2588 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0168 -1.1935 -1.2601 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0355 -3.5499 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4572 -0.9539 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0075 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2451 0.2000 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7743 -0.7458 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6600 1.5234 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6844 -0.8465 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6844 -0.8499 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0581 -2.2127 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0777 -0.7783 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0777 -0.7815 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6374 0.0870 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4487 -2.3217 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2383 -1.1718 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3784 2.1615 1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3774 2.1610 -1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8747 1.0823 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8143 3.4373 1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8132 3.4366 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5317 4.0748 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1562 -0.8700 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1561 -0.8757 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 -3.1175 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5997 -0.7448 -2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5989 -0.7499 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2707 0.9714 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3227 -1.2432 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5924 1.6790 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 1.6780 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4521 1.5327 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4451 1.5312 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9597 1.2064 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 3.9340 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5928 3.9330 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0921 5.0678 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0017 -3.4375 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 8 1 0 0 0 0
1 20 1 0 0 0 0
4 16 1 0 0 0 0
4 39 1 0 0 0 0
5 6 1 0 0 0 0
5 7 2 0 0 0 0
5 12 1 0 0 0 0
6 10 2 0 0 0 0
6 11 1 0 0 0 0
7 9 1 0 0 0 0
7 15 1 0 0 0 0
8 13 2 0 0 0 0
8 14 1 0 0 0 0
9 18 2 0 0 0 0
9 19 1 0 0 0 0
10 13 1 0 0 0 0
10 24 1 0 0 0 0
11 14 2 0 0 0 0
11 25 1 0 0 0 0
12 16 2 0 0 0 0
12 26 1 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
15 17 2 0 0 0 0
15 29 1 0 0 0 0
16 17 1 0 0 0 0
17 30 1 0 0 0 0
18 21 1 0 0 0 0
18 31 1 0 0 0 0
19 22 2 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 2 0 0 0 0
21 36 1 0 0 0 0
22 23 1 0 0 0 0
22 37 1 0 0 0 0
23 38 1 0 0 0 0
M END
$$$$