BW1K2S
-OEChem-04022114183D
34 36 0 0 0 0 0 0 0999 V2000
-4.3692 -0.1149 -0.0125 S 0 0 0 0 0 0 0 0 0 0 0 0
4.1019 0.8618 0.0460 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6937 2.8419 -0.1732 S 0 0 0 0 0 0 0 0 0 0 0 0
1.0039 4.1160 0.1257 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.9653 0.3148 1.2451 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9365 0.3397 -1.2739 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0364 0.9636 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4669 1.3119 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6732 0.3001 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4411 0.3812 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6452 0.7972 1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6369 0.7984 -1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0000 0.4655 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9916 0.4666 -1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -1.0696 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9438 2.7310 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3892 -1.8935 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1014 -1.7567 -1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0930 -1.7598 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8801 -3.1339 -1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -3.1372 1.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7652 -3.8241 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1337 0.9207 2.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1188 0.9232 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5098 0.3342 2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4937 0.3357 -2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4311 -2.2207 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8785 -2.2537 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8929 -2.2551 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 -1.2333 -2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1724 -1.2393 2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7966 -3.6687 -2.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7819 -3.6746 2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5926 -4.8963 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 9 1 0 0 0 0
1 17 1 0 0 0 0
2 3 1 0 0 0 0
2 10 1 0 0 0 0
3 16 1 0 0 0 0
4 16 2 0 0 0 0
7 8 1 0 0 0 0
7 11 2 0 0 0 0
7 12 1 0 0 0 0
8 10 2 0 0 0 0
8 16 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 15 1 0 0 0 0
11 13 1 0 0 0 0
11 23 1 0 0 0 0
12 14 2 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
17 27 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
18 20 1 0 0 0 0
18 30 1 0 0 0 0
19 21 2 0 0 0 0
19 31 1 0 0 0 0
20 22 2 0 0 0 0
20 32 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
M END
$$$$