ATOM 28
1 C1z C 29.4324 -21.4783
2 C1y C 28.2468 -20.7809
3 C1y C 30.6877 -20.8507
4 C1y C 29.4324 -22.9428
5 C1a C 29.4324 -20.1533
6 C1z C 27.0613 -21.4783
7 C1y C 28.2468 -19.3862
8 C1y C 30.6877 -19.4559
9 C1x C 31.8732 -21.5481
10 C1x C 28.2468 -23.6402
11 O7x O 30.6877 -23.6402
12 C1y C 27.0613 -22.9428
13 C5x C 25.8757 -20.7809
14 C1a C 27.0613 -20.2235
15 C1y C 29.4324 -18.6888
16 C7x C 31.8732 -23.0126
17 C1y C 25.8757 -23.6402
18 C2y C 24.5507 -21.4783
19 O5x O 25.8757 -19.3862
20 O6a O 33.1285 -23.7099
21 C2x C 24.5507 -22.9428
22 C1a C 25.8757 -25.0350
23 O2a O 23.3652 -20.7809
24 C1a C 31.8732 -18.7585
25 C1a C 22.1516 -21.4684
26 O2x O 29.1355 -17.3457
27 C1x C 27.7664 -17.2131
28 O2x O 27.2172 -18.4741
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 9 16 1
16 12 17 1
17 13 18 1
18 13 19 2
19 16 20 2
20 17 21 1
21 17 22 1 #Down
22 8 15 1
23 10 12 1
24 11 16 1
25 18 21 2
26 18 23 1
27 8 24 1
28 23 25 1
29 15 26 1 #Up
30 26 27 1
31 27 28 1
32 7 28 1 #Down
| 
