ATOM 31
1 C1x C 23.8637 -24.4555
2 C5x C 24.2994 -23.1252
3 N1y N 23.1638 -22.2994
4 C5x C 22.0284 -23.1252
5 C1x C 22.4640 -24.4555
6 C1b C 23.1638 -20.8996
7 C1b C 24.3761 -20.1996
8 C1c C 24.3759 -18.7998
9 C5a C 25.5882 -18.1000
10 S1a S 23.1637 -18.1001
11 N1b N 26.8005 -18.7998
12 O5a O 25.5882 -16.7002
13 C1c C 28.0126 -18.1000
14 C5a C 29.2249 -18.7997
15 C1b C 28.0126 -16.7002
16 O5a O 29.2249 -19.9894
17 N1b N 30.4372 -18.0998
18 C1c C 29.2249 -16.0002
19 C1a C 29.2247 -14.6004
20 C1a C 30.4370 -16.7000
21 C1c C 31.6494 -18.7997
22 C5a C 32.8615 -18.0998
23 C1d C 31.6494 -20.1994
24 C1a C 30.4372 -20.8993
25 C1a C 32.8617 -20.8993
26 C1a C 31.6403 -21.5924
27 O5x O 25.6454 -22.7517
28 O5x O 20.8099 -22.4195
29 N1b N 34.0738 -18.7995
30 C1a C 35.2861 -18.0996
31 O5a O 32.8615 -16.7000
BOND 31
1 2 3 1
2 14 16 2
3 7 8 1
4 14 17 1
5 3 4 1
6 15 18 1
7 8 9 1
8 18 19 1
9 4 5 1
10 18 20 1
11 8 10 1
12 17 21 1
13 5 1 1
14 21 22 1
15 9 11 1
16 21 23 1
17 23 24 1
18 9 12 2
19 23 25 1
20 3 6 1
21 23 26 1
22 11 13 1
23 2 27 2
24 1 2 1
25 4 28 2
26 13 14 1
27 22 29 1
28 6 7 1
29 29 30 1
30 13 15 1 #Up
31 22 31 2
| 
