BTP1R2
-OEChem-04022102112D
50 52 0 0 0 0 0 0 0999 V2000
2.5369 -2.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3274 -1.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5271 3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2344 4.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1914 4.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0812 -4.2101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6811 -0.4934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0812 -2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3919 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3704 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6648 -3.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6596 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2594 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9702 0.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9487 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5916 2.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2379 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5486 2.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9022 3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8807 3.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1949 2.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2559 4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3713 -1.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7781 -1.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3910 -2.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9842 -1.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2848 -3.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2738 -4.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2670 -0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5562 1.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3628 0.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9849 2.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6520 1.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7981 4.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7334 2.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6090 1.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6564 2.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1280 4.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6492 3.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3837 3.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 43 1 0 0 0 0
2 18 2 0 0 0 0
3 24 1 0 0 0 0
3 27 1 0 0 0 0
4 25 1 0 0 0 0
4 28 1 0 0 0 0
5 26 1 0 0 0 0
5 44 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
6 34 1 0 0 0 0
7 12 1 0 0 0 0
7 18 1 0 0 0 0
7 38 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 13 2 0 0 0 0
9 11 2 0 0 0 0
9 14 1 0 0 0 0
10 12 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 15 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
14 16 2 0 0 0 0
14 35 1 0 0 0 0
15 17 2 0 0 0 0
15 36 1 0 0 0 0
16 17 1 0 0 0 0
17 37 1 0 0 0 0
18 20 1 0 0 0 0
19 21 1 0 0 0 0
19 22 2 0 0 0 0
19 23 1 0 0 0 0
20 21 2 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
22 25 1 0 0 0 0
22 41 1 0 0 0 0
23 24 2 0 0 0 0
23 42 1 0 0 0 0
24 26 1 0 0 0 0
25 26 2 0 0 0 0
27 45 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
M END
$$$$