B3DI8L
-OEChem-04042104123D
33 34 0 1 0 0 0 0 0999 V2000
-0.7989 -0.9185 0.5652 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3692 -1.0995 -0.9152 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 1.6562 0.5084 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6123 0.3421 -0.1269 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8779 0.0947 -1.0358 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3511 -2.5883 0.3128 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2671 -0.6781 0.2403 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5499 -0.1477 0.8847 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7056 0.8529 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7119 1.3023 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2316 1.3562 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2858 -0.0580 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4326 0.6300 -1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9979 -1.5123 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8255 0.6568 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1547 -0.0050 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3087 0.2471 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5894 1.3131 1.5389 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6559 -1.4438 -0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0637 -0.1402 1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4779 1.7165 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6691 0.4416 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2183 0.5534 -1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2130 2.2628 -0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0376 1.1507 -2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7963 2.3266 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4295 1.7117 -1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7798 0.3832 -2.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 -0.7377 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9029 1.2521 2.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6104 1.2349 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4805 2.2986 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0478 -2.3054 -1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 16 1 0 0 0 0
2 19 1 0 0 0 0
3 15 2 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 13 1 0 0 0 0
5 15 1 0 0 0 0
5 29 1 0 0 0 0
6 14 3 0 0 0 0
7 17 1 0 0 0 0
7 19 2 0 0 0 0
8 9 1 0 0 0 0
8 14 1 0 0 0 0
8 20 1 0 0 0 0
9 10 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 11 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 13 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
M END
$$$$