B3AO9L
-OEChem-04022109582D
44 47 0 1 0 0 0 0 0999 V2000
10.0047 -0.8532 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.3722 -0.4925 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.0114 0.8750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.1473 1.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 -1.0209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -2.3256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9197 2.5209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 -2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5298 -2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1719 -0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3798 0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6440 0.5142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5836 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0479 1.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2778 1.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7799 1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9120 0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5081 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1407 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2729 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0517 2.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7838 2.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4739 -2.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8725 -1.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9973 -2.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7944 -2.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7052 -0.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8393 0.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2754 1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9096 -0.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6049 -0.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8286 -0.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6764 -0.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8623 0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0803 0.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6836 0.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5160 2.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3219 2.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8394 1.9164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 23 1 0 0 0 0
3 23 1 0 0 0 0
17 4 1 1 0 0 0
4 44 1 0 0 0 0
5 11 1 0 0 0 0
5 13 1 0 0 0 0
5 18 1 0 0 0 0
6 7 1 0 0 0 0
6 13 2 0 0 0 0
7 18 2 0 0 0 0
8 26 2 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
9 14 1 0 0 0 0
10 12 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
14 15 2 0 0 0 0
14 32 1 0 0 0 0
15 19 1 0 0 0 0
15 20 1 0 0 0 0
16 20 2 0 0 0 0
16 33 1 0 0 0 0
17 21 1 0 0 0 0
17 23 1 0 0 0 0
17 24 1 0 0 0 0
18 25 1 0 0 0 0
19 22 2 0 0 0 0
19 26 1 0 0 0 0
20 34 1 0 0 0 0
21 22 1 0 0 0 0
21 27 2 0 0 0 0
22 35 1 0 0 0 0
24 36 1 0 0 0 0
24 37 1 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$