ATOM 32
1 C1y C 19.2563 -17.5799
2 C1b C 20.4241 -18.2572
3 C1b C 21.6094 -17.5914
4 C1b C 22.7890 -18.2687
5 C1b C 23.9744 -17.5973
6 C5a C 25.1421 -18.2747
7 N1b N 26.3274 -17.5914
8 O5a O 25.1363 -19.6410
9 C1b C 27.5011 -18.2572
10 C1b C 28.6807 -17.5799
11 C1b C 29.8601 -18.2513
12 C1b C 31.0280 -17.5682
13 C1c C 32.2076 -18.2455
14 C5a C 33.3870 -17.5623
15 N1b N 32.2017 -19.6119
16 N1b N 34.5666 -18.2455
17 O5a O 33.3753 -16.2018
18 C5a C 33.4085 -20.3156
19 R R 33.4024 -21.7127
20 O5a O 34.6215 -19.6224
21 R R 35.7775 -17.5487
22 C1y C 18.8473 -16.2409
23 C1y C 17.4475 -16.2165
24 C1x C 16.9917 -17.5402
25 S2x S 18.1099 -18.3827
26 N1x N 19.3030 -14.9171
27 C5x C 18.1849 -14.0746
28 N1y N 17.0381 -14.8777
29 O5x O 18.2093 -12.6700
30 C6a C 15.7976 -14.2100
31 O6a O 14.5851 -14.9100 #-
32 O6a O 15.8467 -12.8107
BOND 33
1 1 2 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 6 8 2
8 7 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 13 15 1 #Up
15 14 16 1
16 14 17 2
17 15 18 1
18 18 19 1
19 18 20 2
20 16 21 1
21 1 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 1 25 1
26 22 26 1
27 26 27 1
28 27 28 1
29 23 28 1
30 27 29 2
31 28 30 1
32 30 31 1
33 30 32 2
| 
