BJ14VB
-OEChem-04012120262D
40 41 0 1 0 0 0 0 0999 V2000
5.1350 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.5369 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9399 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3249 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9264 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9264 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3249 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
2 13 1 0 0 0 0
3 7 1 0 0 0 0
3 39 1 0 0 0 0
3 40 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 17 1 0 0 0 0
5 8 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 9 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 11 1 0 0 0 0
7 22 1 0 0 0 0
8 10 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 10 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
12 14 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 15 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 16 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 16 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
M END
$$$$