B6LJ8F
-OEChem-04012116382D
45 50 0 1 0 0 0 0 0999 V2000
4.2904 -0.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5666 0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3978 2.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9364 3.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8571 -1.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8571 -3.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3788 -2.0392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2964 -0.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9994 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8161 1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6110 0.4032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2848 -1.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3418 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7248 1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0913 0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1788 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8168 2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1788 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0448 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9116 3.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9108 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2848 -3.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0448 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3788 -3.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9108 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7891 1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4407 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7174 1.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1571 -0.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7500 -1.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5266 -1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5849 0.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4370 2.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0448 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4812 3.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7280 4.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2920 -4.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0448 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8430 -3.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3936 1.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9271 2.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1847 1.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9015 -2.9747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9015 -2.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 11 1 0 0 0 0
11 2 1 1 0 0 0
2 27 1 0 0 0 0
3 14 1 0 0 0 0
3 21 1 0 0 0 0
4 17 1 0 0 0 0
4 21 1 0 0 0 0
5 22 1 0 0 0 0
5 28 1 0 0 0 0
6 26 1 0 0 0 0
6 28 1 0 0 0 0
7 12 2 0 0 0 0
7 25 1 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
8 13 1 1 0 0 0
9 10 2 0 0 0 0
9 15 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
11 29 1 0 0 0 0
12 16 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 17 2 0 0 0 0
15 18 2 0 0 0 0
15 33 1 0 0 0 0
16 19 1 0 0 0 0
16 20 2 0 0 0 0
17 18 1 0 0 0 0
18 34 1 0 0 0 0
19 23 1 0 0 0 0
19 24 2 0 0 0 0
20 22 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
22 26 2 0 0 0 0
23 25 2 0 0 0 0
23 38 1 0 0 0 0
24 26 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
27 41 1 0 0 0 0
27 42 1 0 0 0 0
27 43 1 0 0 0 0
28 44 1 0 0 0 0
28 45 1 0 0 0 0
M END
$$$$