LEQ41V
-OEChem-05022323383D
52 54 0 1 0 0 0 0 0999 V2000
-3.7386 3.8652 -1.6348 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4123 2.0886 1.6318 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8098 2.1043 1.5313 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6369 -1.5838 -1.8455 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7485 -0.5990 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5556 1.4774 -0.6863 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6703 -4.0490 0.4196 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9587 1.5397 -1.0387 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4601 0.1689 -1.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1804 2.6016 -2.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2472 -0.9288 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0988 1.7698 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6283 1.6852 0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0634 -1.6666 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2353 -1.2034 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5384 1.1750 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3118 0.8935 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8758 0.7171 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8677 -2.6790 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0908 2.3939 1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0394 -2.2158 1.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8557 -2.9538 1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -0.2217 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9357 1.2111 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4151 -0.6665 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4749 -0.1727 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2352 0.7660 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6551 -3.4349 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4994 -2.0376 -2.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7740 -0.0447 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5248 1.8357 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9537 -0.1123 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5273 0.2286 -1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2420 2.6806 -2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6139 2.3675 -3.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 1.2272 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2944 -1.4535 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1606 -0.6337 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1105 0.2019 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1716 3.1179 2.4727 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8083 -2.4289 2.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8964 4.5118 -2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7177 -3.7395 2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2652 -0.5809 -1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7889 1.9431 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0087 1.1928 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7906 -2.5700 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0273 -1.2232 -3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 -2.7612 -3.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7203 -0.4947 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6345 -0.3100 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8705 1.0362 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 42 1 0 0 0 0
2 16 1 0 0 0 0
2 20 1 0 0 0 0
3 12 2 0 0 0 0
4 25 1 0 0 0 0
4 29 1 0 0 0 0
5 26 1 0 0 0 0
5 30 1 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
6 36 1 0 0 0 0
7 28 3 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
9 11 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 13 1 0 0 0 0
13 17 1 0 0 0 0
13 20 2 0 0 0 0
14 19 1 0 0 0 0
14 37 1 0 0 0 0
15 21 2 0 0 0 0
15 38 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 39 1 0 0 0 0
18 23 2 0 0 0 0
18 24 1 0 0 0 0
19 22 2 0 0 0 0
19 28 1 0 0 0 0
20 40 1 0 0 0 0
21 22 1 0 0 0 0
21 41 1 0 0 0 0
22 43 1 0 0 0 0
23 25 1 0 0 0 0
23 44 1 0 0 0 0
24 27 2 0 0 0 0
24 45 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
29 49 1 0 0 0 0
30 50 1 0 0 0 0
30 51 1 0 0 0 0
30 52 1 0 0 0 0
M END
$$$$