B3P0VM
-OEChem-04012118082D
42 44 0 1 0 0 0 0 0999 V2000
2.5313 -2.7966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7634 -0.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.1874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 1.5694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4543 -1.2088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0724 -1.2088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3794 3.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9013 4.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4839 4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5704 4.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 1.4648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9945 2.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 0.5513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1810 0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -3.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -3.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -4.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -4.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -4.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4442 2.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9994 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4864 4.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3997 3.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0904 4.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6755 4.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8804 5.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0688 5.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8345 2.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8111 1.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1162 1.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5644 0.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2459 -0.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8290 2.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9413 1.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6663 -2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -4.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6663 -4.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -5.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 13 2 0 0 0 0
3 7 1 0 0 0 0
3 16 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 13 1 0 0 0 0
12 5 1 1 0 0 0
5 37 1 0 0 0 0
5 38 1 0 0 0 0
6 16 2 0 0 0 0
6 17 1 0 0 0 0
7 17 2 0 0 0 0
8 10 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 28 1 0 0 0 0
10 29 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 14 1 0 0 0 0
12 32 1 0 0 0 0
14 15 1 1 0 0 0
14 16 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
19 21 2 0 0 0 0
20 22 1 0 0 0 0
20 39 1 0 0 0 0
21 23 1 0 0 0 0
21 40 1 0 0 0 0
22 23 2 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$