BX5LP3
-OEChem-04012113222D
45 45 0 1 0 0 0 0 0999 V2000
3.7320 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.1900 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -3.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -5.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -4.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -5.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 18 1 0 0 0 0
2 18 2 0 0 0 0
3 5 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 22 1 0 0 0 0
6 7 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 11 2 0 0 0 0
7 12 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 16 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
12 14 2 0 0 0 0
12 34 1 0 0 0 0
13 15 2 0 0 0 0
14 15 1 0 0 0 0
14 35 1 0 0 0 0
15 36 1 0 0 0 0
16 21 3 0 0 0 0
17 20 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
21 45 1 0 0 0 0
M END
$$$$