BCS64T
-OEChem-04012113092D
42 44 0 0 0 0 0 0 0999 V2000
6.6132 -3.1307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6132 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 1.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1132 2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5255 3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9322 4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 1.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0114 3.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0948 2.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0119 1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4777 2.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -1.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4986 3.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1844 4.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3658 4.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 -0.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 2.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 -0.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 1.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9932 -4.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -4.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2332 -4.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 15 1 0 0 0 0
1 23 1 0 0 0 0
2 24 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 12 1 0 0 0 0
6 8 1 0 0 0 0
6 10 2 0 0 0 0
7 9 1 0 0 0 0
7 11 2 0 0 0 0
8 13 2 0 0 0 0
8 14 1 0 0 0 0
9 18 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 11 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
12 19 2 0 0 0 0
12 20 1 0 0 0 0
13 16 1 0 0 0 0
13 29 1 0 0 0 0
14 17 2 0 0 0 0
14 30 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
19 21 1 0 0 0 0
19 36 1 0 0 0 0
20 22 2 0 0 0 0
20 37 1 0 0 0 0
21 24 2 0 0 0 0
21 38 1 0 0 0 0
22 24 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$