B73LUP
-OEChem-04012113072D
47 50 0 1 0 0 0 0 0999 V2000
5.5321 -0.9400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
8.1301 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9996 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6626 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8656 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2651 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0573 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8632 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8632 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
1 10 1 0 0 0 0
2 11 1 0 0 0 0
2 16 1 0 0 0 0
2 40 1 0 0 0 0
3 4 1 0 0 0 0
3 16 2 0 0 0 0
4 19 2 0 0 0 0
5 7 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
6 8 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 9 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 9 1 0 0 0 0
8 12 2 0 0 0 0
9 13 2 0 0 0 0
10 11 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 14 1 0 0 0 0
12 36 1 0 0 0 0
13 15 1 0 0 0 0
13 37 1 0 0 0 0
14 15 2 0 0 0 0
14 38 1 0 0 0 0
15 39 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 41 1 0 0 0 0
18 19 1 0 0 0 0
18 42 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 43 1 0 0 0 0
22 24 2 0 0 0 0
22 44 1 0 0 0 0
23 25 2 0 0 0 0
23 45 1 0 0 0 0
24 25 1 0 0 0 0
24 46 1 0 0 0 0
25 47 1 0 0 0 0
M END
$$$$