BPB63E
-OEChem-04022100232D
35 36 0 1 0 0 0 0 0999 V2000
6.3745 -3.1217 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5134 -0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6166 -2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4364 0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1835 -2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5655 -3.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 0.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7867 -2.3126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2044 -1.6082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.2044 -1.6082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8954 -0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 -0.0693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.7922 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9623 -3.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8168 -1.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5920 -1.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5854 -0.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3290 -0.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2568 0.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2349 -2.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9631 -3.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0389 -1.7462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 1.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1074 2.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 2.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4607 -4.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3267 -4.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4639 -3.5663 0.0000 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 19 1 0 0 0 0
2 11 1 0 0 0 0
2 14 1 0 0 0 0
3 12 1 0 0 0 0
3 29 1 0 0 0 0
4 16 2 0 0 0 0
7 20 2 0 0 0 0
8 14 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
9 15 1 0 0 0 0
9 28 1 0 0 0 0
10 16 1 0 0 0 0
10 20 1 0 0 0 0
10 31 1 0 0 0 0
11 12 1 0 0 0 0
11 15 1 0 0 0 0
11 21 1 0 0 0 0
12 13 1 0 0 0 0
12 22 1 0 0 0 0
13 14 1 0 0 0 0
13 23 1 0 0 0 0
13 24 1 0 0 0 0
14 25 1 0 0 0 0
15 26 1 0 0 0 0
15 27 1 0 0 0 0
17 18 2 0 0 0 0
17 30 1 0 0 0 0
18 20 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
M END
$$$$