BA0H4O
-OEChem-04022100362D
65 69 0 0 0 0 0 0 0999 V2000
8.1667 3.9365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.5516 5.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1836 1.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 3.2784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2272 3.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2217 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9757 2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1448 4.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6284 2.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8095 4.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6229 2.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8040 4.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2107 3.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -4.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -5.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4685 2.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1966 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3981 4.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6699 4.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 2.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 1.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2640 2.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5573 5.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8751 2.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1684 5.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 0.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 0.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -2.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -1.4754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8273 3.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -3.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -3.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -4.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -4.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -5.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
2 12 2 0 0 0 0
3 15 1 0 0 0 0
3 24 1 0 0 0 0
4 19 1 0 0 0 0
4 25 1 0 0 0 0
5 10 2 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 12 1 0 0 0 0
7 8 1 0 0 0 0
7 39 1 0 0 0 0
7 40 1 0 0 0 0
8 9 1 0 0 0 0
8 41 1 0 0 0 0
8 42 1 0 0 0 0
9 16 2 0 0 0 0
9 17 1 0 0 0 0
10 11 1 0 0 0 0
11 14 2 0 0 0 0
13 14 1 0 0 0 0
13 18 2 0 0 0 0
13 20 1 0 0 0 0
14 43 1 0 0 0 0
15 18 1 0 0 0 0
15 19 2 0 0 0 0
16 22 1 0 0 0 0
16 45 1 0 0 0 0
17 23 2 0 0 0 0
17 46 1 0 0 0 0
18 44 1 0 0 0 0
19 21 1 0 0 0 0
20 21 2 0 0 0 0
20 47 1 0 0 0 0
21 48 1 0 0 0 0
22 26 2 0 0 0 0
22 49 1 0 0 0 0
23 26 1 0 0 0 0
23 50 1 0 0 0 0
24 27 1 0 0 0 0
24 51 1 0 0 0 0
24 52 1 0 0 0 0
25 28 1 0 0 0 0
25 53 1 0 0 0 0
25 54 1 0 0 0 0
26 55 1 0 0 0 0
27 29 2 0 0 0 0
27 30 1 0 0 0 0
28 31 2 0 0 0 0
28 32 1 0 0 0 0
29 33 1 0 0 0 0
29 56 1 0 0 0 0
30 34 2 0 0 0 0
30 57 1 0 0 0 0
31 35 1 0 0 0 0
31 58 1 0 0 0 0
32 36 2 0 0 0 0
32 59 1 0 0 0 0
33 37 2 0 0 0 0
33 60 1 0 0 0 0
34 37 1 0 0 0 0
34 61 1 0 0 0 0
35 38 2 0 0 0 0
35 62 1 0 0 0 0
36 38 1 0 0 0 0
36 63 1 0 0 0 0
37 64 1 0 0 0 0
38 65 1 0 0 0 0
M END
$$$$