ATOM 33
1 C8y C 22.4698 -16.1669
2 C8y C 22.4694 -14.7669
3 C8y C 21.2568 -14.0673
4 C8y C 20.0445 -14.7677
5 C8y C 20.0450 -16.1677
6 O2x O 21.2576 -16.8673
7 C1b C 18.8076 -16.8681
8 C1b C 17.5950 -16.1685
9 C2c C 16.3828 -16.8689
10 C2b C 15.1701 -16.1692
11 C2c C 13.9579 -16.8696
12 C2b C 12.7452 -16.1700
13 C2c C 11.5330 -16.8704
14 C2b C 10.3204 -16.1708
15 C2c C 9.1081 -16.8711
16 C2b C 7.8955 -16.1715
17 C8y C 6.6792 -16.8560
18 C1a C 16.3832 -18.2689
19 C1a C 13.9583 -18.2693
20 C1a C 11.5335 -18.2703
21 C1a C 9.1086 -18.2711
22 O1a O 23.6825 -16.8666
23 C1a C 23.6816 -14.0666
24 C1a C 18.8132 -14.0571
25 O5x O 21.2563 -12.6675
26 C8x C 5.4838 -16.1273
27 C8x C 4.2550 -16.7982
28 C8y C 4.2217 -18.1978
29 C8x C 5.4171 -18.9265
30 C8x C 6.6458 -18.2556
31 N2b N 2.9746 -18.8788 #+
32 O3a O 1.7619 -18.1792 #-
33 O3a O 2.6126 -20.2312
BOND 34
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 9 18 1
19 11 19 1
20 13 20 1
21 15 21 1
22 1 22 1
23 2 23 1
24 4 24 1
25 3 25 2
26 17 26 2
27 26 27 1
28 27 28 2
29 28 29 1
30 29 30 2
31 17 30 1
32 28 31 1
33 31 32 1
34 31 33 2
| 
