BPTS73
-OEChem-04012115202D
45 47 0 1 0 0 0 0 0999 V2000
8.1603 -1.3663 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
6.4661 -1.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -3.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -3.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 0.9293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 1.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2093 -1.0572 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.8913 1.5171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5823 2.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 3.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5855 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0014 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7445 0.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -3.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3297 1.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1888 2.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5175 3.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7424 2.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9352 3.7892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 3.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0648 2.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9677 3.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 4.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8349 4.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5895 -0.1849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4566 2.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -0.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -0.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9973 1.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3342 0.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -1.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -1.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -4.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
2 7 2 0 0 0 0
3 26 1 0 0 0 0
3 45 1 0 0 0 0
4 26 2 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 13 1 0 0 0 0
6 10 2 0 0 0 0
7 20 1 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
11 30 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 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 23 1 0 0 0 0
18 39 1 0 0 0 0
19 24 2 0 0 0 0
19 40 1 0 0 0 0
20 22 2 0 0 0 0
21 22 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
23 25 2 0 0 0 0
23 43 1 0 0 0 0
24 25 1 0 0 0 0
24 44 1 0 0 0 0
25 26 1 0 0 0 0
M CHG 2 1 -1 7 1
M END
$$$$