B4C1PD
-OEChem-04022100412D
55 57 0 1 0 0 0 0 0999 V2000
2.8660 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.4400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
8.9282 -2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 -2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 -2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 -3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7162 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3176 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0063 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4048 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4142 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1742 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 24 1 0 0 0 0
2 6 1 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
5 3 1 6 0 0 0
3 38 1 0 0 0 0
3 39 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 8 1 1 0 0 0
4 26 1 0 0 0 0
5 7 1 0 0 0 0
5 27 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 10 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 12 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
12 15 1 0 0 0 0
12 40 1 0 0 0 0
12 41 1 0 0 0 0
13 16 1 0 0 0 0
13 42 1 0 0 0 0
14 17 2 0 0 0 0
14 43 1 0 0 0 0
15 44 1 0 0 0 0
15 45 1 0 0 0 0
15 46 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 47 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 48 1 0 0 0 0
21 23 2 0 0 0 0
21 49 1 0 0 0 0
22 25 2 0 0 0 0
22 50 1 0 0 0 0
23 25 1 0 0 0 0
23 51 1 0 0 0 0
24 52 1 0 0 0 0
24 53 1 0 0 0 0
24 54 1 0 0 0 0
25 55 1 0 0 0 0
M END
$$$$