BB07MW
-OEChem-04012112042D
51 53 0 1 0 0 0 0 0999 V2000
5.9019 -0.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0106 1.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 -0.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3608 -4.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8076 3.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 -5.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6320 4.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5929 0.4420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2839 -0.5090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0929 -1.0968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5929 0.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0051 1.2510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3328 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 -2.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4118 2.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2268 -2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9589 -2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4064 2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8240 2.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2268 -3.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9589 -3.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8131 3.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 -4.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2308 3.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2253 3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4948 -3.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2143 4.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9788 1.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1869 -1.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6453 -1.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1993 0.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5281 1.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7529 0.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8442 -1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6239 -1.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6461 1.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6899 -2.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4958 -2.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7708 1.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2074 2.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4958 -3.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8664 4.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6298 -5.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2676 5.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8048 -3.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9579 -3.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1848 -4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7807 3.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4665 4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6479 4.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
12 2 1 1 0 0 0
2 36 1 0 0 0 0
3 13 1 0 0 0 0
3 39 1 0 0 0 0
4 20 1 0 0 0 0
4 26 1 0 0 0 0
5 22 1 0 0 0 0
5 27 1 0 0 0 0
6 23 1 0 0 0 0
6 44 1 0 0 0 0
7 25 1 0 0 0 0
7 45 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 28 1 6 0 0 0
9 10 1 0 0 0 0
9 13 1 1 0 0 0
9 29 1 0 0 0 0
10 14 1 6 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 15 1 0 0 0 0
12 33 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 20 1 0 0 0 0
16 37 1 0 0 0 0
17 21 2 0 0 0 0
17 38 1 0 0 0 0
18 22 1 0 0 0 0
18 40 1 0 0 0 0
19 24 2 0 0 0 0
19 41 1 0 0 0 0
20 23 2 0 0 0 0
21 23 1 0 0 0 0
21 42 1 0 0 0 0
22 25 2 0 0 0 0
24 25 1 0 0 0 0
24 43 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
M END
$$$$