BMT9N3
-OEChem-04012114012D
54 58 0 1 0 0 0 0 0999 V2000
7.9128 0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -3.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 2.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1513 -4.3933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9603 -2.9920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 3.0080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.6067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.1012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3147 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1294 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6294 -3.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6438 0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1027 0.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7042 -0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6482 -0.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4453 -0.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4453 2.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6482 2.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5234 0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1249 1.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -1.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -1.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -3.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -4.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 5.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3568 4.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 4.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7368 5.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3816 -5.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2461 -3.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 2.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 0.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 15 1 0 0 0 0
2 17 2 0 0 0 0
3 11 1 0 0 0 0
3 14 1 0 0 0 0
3 17 1 0 0 0 0
4 18 1 0 0 0 0
4 26 2 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 21 1 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 22 1 0 0 0 0
7 29 2 0 0 0 0
8 30 2 0 0 0 0
9 31 2 0 0 0 0
10 32 2 0 0 0 0
11 12 1 1 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
12 16 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 18 1 0 0 0 0
18 22 2 0 0 0 0
19 21 1 0 0 0 0
19 42 1 0 0 0 0
20 23 2 0 0 0 0
20 43 1 0 0 0 0
21 24 2 0 0 0 0
22 25 1 0 0 0 0
23 24 1 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
25 27 2 0 0 0 0
25 46 1 0 0 0 0
26 27 1 0 0 0 0
26 28 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
29 30 1 0 0 0 0
29 51 1 0 0 0 0
30 52 1 0 0 0 0
31 32 1 0 0 0 0
31 53 1 0 0 0 0
32 54 1 0 0 0 0
M END
$$$$