BDU3J9
-OEChem-04022106462D
43 46 0 1 0 0 0 0 0999 V2000
2.5924 -2.9303 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9303 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6181 -1.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3354 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 -0.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 -1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 -1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 -0.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9915 -1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2885 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6491 -2.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9688 -0.9822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6696 -2.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2791 -2.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6397 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2586 -2.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2742 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9367 -1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6408 -1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4733 0.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 -2.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5522 -0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0827 -2.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4775 -2.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4549 0.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8645 -0.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4635 0.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6838 0.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3308 -1.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0348 -1.9703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 28 1 0 0 0 0
3 18 2 0 0 0 0
4 23 1 0 0 0 0
4 43 1 0 0 0 0
5 23 2 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 18 1 0 0 0 0
7 8 2 0 0 0 0
7 12 1 0 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
9 10 2 0 0 0 0
9 16 1 0 0 0 0
10 17 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
12 29 1 0 0 0 0
13 15 2 0 0 0 0
13 30 1 0 0 0 0
14 20 1 1 0 0 0
14 23 1 0 0 0 0
14 31 1 0 0 0 0
15 32 1 0 0 0 0
16 19 2 0 0 0 0
16 33 1 0 0 0 0
17 21 2 0 0 0 0
17 34 1 0 0 0 0
18 22 1 0 0 0 0
19 21 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
24 26 1 0 0 0 0
24 39 1 0 0 0 0
25 27 2 0 0 0 0
25 40 1 0 0 0 0
26 28 2 0 0 0 0
26 41 1 0 0 0 0
27 28 1 0 0 0 0
27 42 1 0 0 0 0
M END
$$$$