D03LWV
-OEChem-10101305022D
52 52 0 1 0 0 0 0 0999 V2000
7.1962 -1.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2981 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4786 1.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3196 2.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1023 -1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4081 -2.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8334 1.2098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1391 0.8497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8301 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5211 0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0902 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7844 0.9008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 -1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9923 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9434 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5275 1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1513 -1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2361 0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4366 1.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7653 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8949 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2237 1.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9547 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 0.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7044 1.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6555 1.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 -1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 -1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3727 -0.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9060 -0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5630 -0.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0297 0.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9394 1.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2312 -2.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 23 1 0 0 0 0
3 51 1 0 0 0 0
4 23 2 0 0 0 0
5 25 1 0 0 0 0
5 52 1 0 0 0 0
6 25 2 0 0 0 0
7 10 1 0 0 0 0
7 13 1 0 0 0 0
7 14 1 0 0 0 0
8 15 1 0 0 0 0
18 8 1 6 0 0 0
8 36 1 0 0 0 0
16 9 1 1 0 0 0
9 40 1 0 0 0 0
9 41 1 0 0 0 0
10 11 1 0 0 0 0
10 15 1 1 0 0 0
10 26 1 0 0 0 0
11 12 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 13 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
16 33 1 0 0 0 0
17 19 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
18 20 1 0 0 0 0
18 23 1 0 0 0 0
18 37 1 0 0 0 0
19 21 1 0 0 0 0
19 38 1 0 0 0 0
19 39 1 0 0 0 0
20 22 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
21 24 1 0 0 0 0
21 44 1 0 0 0 0
21 45 1 0 0 0 0
22 25 1 0 0 0 0
22 46 1 0 0 0 0
22 47 1 0 0 0 0
24 48 1 0 0 0 0
24 49 1 0 0 0 0
24 50 1 0 0 0 0
M END
$$$$