BJ1Q9E
-OEChem-04022106442D
49 53 0 0 0 0 0 0 0999 V2000
2.0000 -2.1189 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.0304 0.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6768 -0.1337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8951 2.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3876 -2.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5754 -1.0952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5754 -3.0952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7684 0.1028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7402 -0.1064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9874 0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2981 1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0369 1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3476 2.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9380 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6983 -0.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3876 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4414 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9712 -2.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4414 -2.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7093 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8433 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9355 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2677 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7093 -2.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6249 -2.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 -0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3649 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 -2.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9785 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8874 1.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4907 2.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4476 1.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8443 0.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7294 2.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7453 -0.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5273 0.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1306 1.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0908 -0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2337 3.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2760 3.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5912 -2.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5802 -3.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1724 -2.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0389 -2.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8751 -0.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9321 1.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1146 1.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7976 0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4537 -3.2463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 29 1 0 0 0 0
2 15 2 0 0 0 0
3 10 1 0 0 0 0
3 15 1 0 0 0 0
3 38 1 0 0 0 0
4 13 1 0 0 0 0
4 39 1 0 0 0 0
4 40 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
5 42 1 0 0 0 0
6 17 2 0 0 0 0
6 20 1 0 0 0 0
7 19 2 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 23 1 0 0 0 0
8 27 1 0 0 0 0
9 21 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
11 13 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 2 0 0 0 0
17 19 1 0 0 0 0
18 41 1 0 0 0 0
20 21 1 0 0 0 0
20 24 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 25 1 0 0 0 0
23 26 1 0 0 0 0
24 43 1 0 0 0 0
25 28 2 0 0 0 0
25 44 1 0 0 0 0
26 29 2 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
28 29 1 0 0 0 0
28 49 1 0 0 0 0
M END
$$$$