BP9F3H
-OEChem-04022112533D
36 38 0 0 0 0 0 0 0999 V2000
-4.4099 0.1837 -0.0005 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.9803 0.6398 1.2597 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9610 0.6648 -1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4639 -3.0907 1.2043 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4689 -3.0927 -1.2054 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 1.3385 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 1.0585 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4082 0.3154 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6965 0.5205 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6436 0.9251 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6436 0.9226 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0122 0.6561 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0122 0.6537 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8721 2.6712 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0199 -1.0829 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7683 0.6250 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2323 2.9807 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5117 -1.5919 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1804 1.9576 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 -1.7906 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 -1.7925 -1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3066 -3.6716 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1251 1.0265 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1251 1.0223 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5233 0.5490 -2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5241 0.5453 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 3.4829 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5226 -0.1587 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 4.0183 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5675 -1.8709 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0217 -1.9747 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0288 -1.9765 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2394 2.1988 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9479 -1.3289 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9567 -1.3322 -2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0187 -4.7156 -0.0002 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 9 1 0 0 0 0
1 18 1 0 0 0 0
4 20 2 0 0 0 0
4 22 1 0 0 0 0
5 21 1 0 0 0 0
5 22 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 14 2 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 15 1 0 0 0 0
8 16 2 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 12 1 0 0 0 0
10 23 1 0 0 0 0
11 13 2 0 0 0 0
11 24 1 0 0 0 0
12 25 1 0 0 0 0
13 26 1 0 0 0 0
14 17 1 0 0 0 0
14 27 1 0 0 0 0
15 20 1 0 0 0 0
15 21 2 0 0 0 0
16 19 1 0 0 0 0
16 28 1 0 0 0 0
17 19 2 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
M END
$$$$