BW5V2F
-OEChem-04042103153D
38 40 0 1 0 0 0 0 0999 V2000
-2.7397 -1.9402 -1.6928 S 0 0 0 0 0 0 0 0 0 0 0 0
5.2450 0.6185 -0.3903 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 -2.8044 1.4068 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4222 0.3979 -1.8187 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7126 1.8587 0.2132 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2507 -0.9369 0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4999 -0.0570 0.9122 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9283 -0.6967 0.4596 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0445 -0.4482 -0.9194 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1406 0.4529 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1545 -3.0623 -0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 -2.2767 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8501 0.1028 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5933 1.4751 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7143 0.2744 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6644 0.8831 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 -0.5191 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5531 0.4197 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 1.0416 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7389 -0.3607 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6198 2.3188 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7407 1.1181 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1934 2.1404 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 0.0544 -1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0013 -3.4372 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6076 -3.8954 -0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 0.3347 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1553 1.6246 -2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4041 -0.5210 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2576 1.3714 2.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7982 -1.1349 -1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6329 1.6484 1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1381 -0.8586 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9725 3.1145 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1908 0.9767 2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9933 2.7966 0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2886 -1.4852 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4854 -0.4859 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 11 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 8 1 0 0 0 0
2 18 1 0 0 0 0
3 12 2 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 12 1 0 0 0 0
7 13 1 0 0 0 0
7 27 1 0 0 0 0
8 37 1 0 0 0 0
8 38 1 0 0 0 0
9 10 1 0 0 0 0
9 24 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 12 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 21 1 0 0 0 0
14 28 1 0 0 0 0
15 22 2 0 0 0 0
15 29 1 0 0 0 0
16 19 1 0 0 0 0
16 30 1 0 0 0 0
17 20 2 0 0 0 0
17 31 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
21 23 2 0 0 0 0
21 34 1 0 0 0 0
22 23 1 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
M END
$$$$