B13FAL
-OEChem-04012116062D
50 54 0 1 0 0 0 0 0999 V2000
10.5608 -1.3893 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9339 -5.0435 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.9229 -4.8344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9785 -0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8084 0.8287 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.1705 -2.6164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0047 3.3113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0047 3.3113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6803 2.1280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3962 0.0197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9895 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5772 -1.7029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3907 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8143 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1164 1.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5718 -1.5983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5047 1.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3137 2.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6957 2.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1596 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3197 4.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1541 -2.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7528 -3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 2.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2992 3.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6397 5.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3406 -4.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7419 -3.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3351 -4.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6484 0.5861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4755 -0.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5588 -1.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9606 -1.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9480 0.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2198 0.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2082 0.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8800 0.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6825 1.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4275 2.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1884 -1.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5539 -2.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5349 -3.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4955 1.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1362 -3.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8861 4.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2271 4.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8381 5.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0523 5.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3585 -3.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 28 1 0 0 0 0
3 30 1 0 0 0 0
4 14 1 0 0 0 0
4 17 1 0 0 0 0
5 25 2 0 0 0 0
11 6 1 1 0 0 0
6 15 1 0 0 0 0
6 16 1 0 0 0 0
13 7 1 1 0 0 0
7 42 1 0 0 0 0
7 43 1 0 0 0 0
8 9 1 0 0 0 0
8 20 1 0 0 0 0
8 22 1 0 0 0 0
9 19 2 0 0 0 0
10 20 1 0 0 0 0
10 25 1 0 0 0 0
10 44 1 0 0 0 0
11 12 1 0 0 0 0
11 14 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 17 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 18 1 0 0 0 0
15 37 1 0 0 0 0
15 38 1 0 0 0 0
16 19 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 21 1 6 0 0 0
17 41 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
21 23 1 0 0 0 0
21 24 2 0 0 0 0
22 26 2 0 0 0 0
22 27 1 0 0 0 0
23 29 2 0 0 0 0
24 28 1 0 0 0 0
24 45 1 0 0 0 0
25 26 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
28 30 2 0 0 0 0
29 30 1 0 0 0 0
29 50 1 0 0 0 0
M END
$$$$