B0AUW4
-OEChem-04012118012D
44 47 0 0 0 0 0 0 0999 V2000
3.7320 1.2434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7566 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 0.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -0.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 1.5481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 -1.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7852 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0958 -2.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4315 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0744 -2.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7422 -2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4280 -3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3850 -3.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3350 2.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1785 -1.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8456 -0.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3489 -2.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9665 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0140 -3.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8895 -3.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7957 -4.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5776 -4.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9743 -3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
2 29 1 0 0 0 0
3 13 2 0 0 0 0
4 24 2 0 0 0 0
5 10 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
6 30 1 0 0 0 0
7 10 2 0 0 0 0
7 19 1 0 0 0 0
8 15 1 0 0 0 0
8 19 2 0 0 0 0
9 24 1 0 0 0 0
9 43 1 0 0 0 0
9 44 1 0 0 0 0
10 11 1 0 0 0 0
11 15 2 0 0 0 0
12 14 2 0 0 0 0
12 17 1 0 0 0 0
14 16 1 0 0 0 0
14 31 1 0 0 0 0
15 24 1 0 0 0 0
16 18 2 0 0 0 0
16 22 1 0 0 0 0
17 20 2 0 0 0 0
17 32 1 0 0 0 0
18 20 1 0 0 0 0
18 23 1 0 0 0 0
19 21 1 0 0 0 0
20 33 1 0 0 0 0
21 25 2 0 0 0 0
21 26 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
25 27 1 0 0 0 0
26 28 2 0 0 0 0
26 40 1 0 0 0 0
27 29 2 0 0 0 0
27 41 1 0 0 0 0
28 29 1 0 0 0 0
28 42 1 0 0 0 0
M END
$$$$