BPIM83
-OEChem-04022108092D
59 61 0 1 0 0 0 0 0999 V2000
5.2867 -3.8815 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.4777 0.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3745 2.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 3.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6166 3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5546 -0.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7867 1.6573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7867 1.6573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0957 0.7063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2867 0.1185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1989 2.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2867 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1527 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4207 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1527 -2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4207 -2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0188 -2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2867 -2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8848 -2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8848 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7508 -2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6168 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4828 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6886 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7508 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6168 -2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3489 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4828 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9472 1.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5052 2.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5341 1.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0441 -0.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8345 2.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6471 2.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3753 1.7658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1223 3.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5075 0.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6897 -1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2412 3.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8837 -2.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6202 -3.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4173 -3.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3478 -1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7508 -3.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9459 -0.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3786 -0.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1517 -1.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9986 -1.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7508 -0.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1538 -2.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0389 -1.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8858 -1.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6589 -0.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1028 0.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4828 0.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8628 0.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 8 1 0 0 0 0
2 11 1 0 0 0 0
9 3 1 6 0 0 0
3 38 1 0 0 0 0
10 4 1 1 0 0 0
4 39 1 0 0 0 0
12 5 1 1 0 0 0
5 41 1 0 0 0 0
6 14 1 0 0 0 0
6 45 1 0 0 0 0
7 16 1 0 0 0 0
7 26 1 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
8 31 1 1 0 0 0
9 10 1 0 0 0 0
9 32 1 0 0 0 0
10 11 1 0 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 34 1 1 0 0 0
12 14 1 0 0 0 0
12 35 1 0 0 0 0
13 15 1 0 0 0 0
13 16 2 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 17 2 0 0 0 0
15 40 1 0 0 0 0
16 18 1 0 0 0 0
17 19 1 0 0 0 0
17 20 1 0 0 0 0
18 20 2 0 0 0 0
18 42 1 0 0 0 0
19 21 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 27 1 0 0 0 0
22 46 1 0 0 0 0
23 28 2 0 0 0 0
23 47 1 0 0 0 0
24 25 1 0 0 0 0
24 27 2 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
25 30 1 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
26 50 1 0 0 0 0
26 51 1 0 0 0 0
27 52 1 0 0 0 0
28 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
29 56 1 0 0 0 0
30 57 1 0 0 0 0
30 58 1 0 0 0 0
30 59 1 0 0 0 0
M END
$$$$