ATOM 22
1 C2y C 29.1212 -18.7593
2 C2y C 28.0934 -17.9359
3 C1y C 29.4656 -20.2017
4 C7x C 30.2248 -18.0352
5 C1x C 26.5809 -17.9359
6 C7x C 28.5547 -16.7037
7 C1y C 28.7765 -21.3755
8 C1b C 30.6511 -19.5243
9 O7x O 29.8804 -16.7562
10 O6a O 31.5038 -18.5141
11 C2y C 25.4713 -18.7534
12 O6a O 27.8072 -15.5650
13 C5x C 27.2641 -22.0588
14 O1a O 29.6934 -22.3799
15 C1b C 31.8308 -20.2017
16 C1y C 25.1268 -20.2017
17 C2b C 24.2918 -18.0760
18 C1x C 25.9619 -21.5098
19 O5x O 27.2642 -23.5713
20 C1a C 33.0046 -19.5243
21 O1a O 23.7778 -20.2425
22 C1a C 23.1180 -18.7534
BOND 23
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 2
12 7 13 1
13 7 14 1 #Down
14 8 15 1
15 11 16 1
16 11 17 2
17 13 18 1
18 13 19 2
19 15 20 1
20 16 21 1 #Down
21 17 22 1
22 6 9 1
23 16 18 1
|