BV84RF
-OEChem-04012119392D
46 47 0 1 0 0 0 0 0999 V2000
3.0000 0.6659 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 0.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.6659 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.5032 2.6138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 2.2537 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5000 3.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 2.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 2.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1974 2.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1485 2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8916 3.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9060 1.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1064 3.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4352 3.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 3.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8936 3.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6246 2.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 1.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3743 3.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1632 1.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9428 1.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4885 3.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7088 3.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -0.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -0.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8574 2.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6370 2.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -2.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -2.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3065 2.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3524 3.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4768 3.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 -3.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -3.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 5 1 0 0 0 0
1 12 1 0 0 0 0
4 11 2 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
6 30 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 23 1 0 0 0 0
8 9 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 18 1 0 0 0 0
14 35 1 0 0 0 0
15 19 2 0 0 0 0
15 36 1 0 0 0 0
16 17 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
17 21 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 20 2 0 0 0 0
18 39 1 0 0 0 0
19 20 1 0 0 0 0
19 40 1 0 0 0 0
20 22 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
M END
$$$$