ATOM 40
1 O6a O 13.5931 -14.2172
2 C6a C 14.7838 -14.9176
3 C1c C 15.9744 -14.2172
4 C1b C 17.2351 -14.9176
5 C1b C 18.4257 -14.2172
6 C5a C 19.6864 -14.9176
7 N1b N 20.8770 -14.2172
8 C1c C 22.0676 -14.9176
9 C5a C 23.3283 -14.2172
10 N1b N 24.5189 -14.9176
11 C1b C 25.7096 -14.2172
12 C5a C 26.9702 -14.9176
13 N1a N 28.1609 -14.2172
14 O6a O 14.7838 -16.3183
15 O5a O 19.6864 -16.3183
16 N1a N 15.9744 -12.8165
17 C1b C 22.0676 -16.3183
18 O5a O 23.3283 -12.8165
19 O5a O 26.9702 -16.3183
20 S3a S 20.8770 -17.0187
21 S3a S 20.8770 -18.4195
22 C1b C 22.1377 -19.1899
23 C1c C 22.1377 -20.5906
24 C5a C 23.3283 -21.2209
25 N1b N 20.8770 -21.2910
26 N1b N 24.5189 -20.5906
27 C1b C 25.7096 -21.2209
28 C5a C 26.9002 -20.5906
29 O5a O 23.3283 -22.6917
30 N1a N 28.0908 -21.2209
31 O5a O 26.9002 -19.1198
32 C5a C 19.6864 -20.5906
33 C1b C 18.4957 -21.2910
34 O5a O 19.6864 -19.1198
35 C1b C 17.3051 -20.5906
36 C1c C 16.1145 -21.2910
37 C6a C 14.9238 -20.5906
38 N1a N 16.1145 -22.6917
39 O6a O 13.7332 -21.2209
40 O6a O 14.9238 -19.1198
BOND 39
1 1 2 1
2 3 2 1 #Up
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 2 14 2
14 6 15 2
15 3 16 1
16 8 17 1 #Down
17 9 18 2
18 12 19 2
19 17 20 1
20 20 21 1
21 21 22 1
22 23 22 1 #Up
23 23 24 1
24 23 25 1
25 24 26 1
26 26 27 1
27 27 28 1
28 24 29 2
29 28 30 1
30 28 31 2
31 25 32 1
32 32 33 1
33 32 34 2
34 33 35 1
35 35 36 1
36 36 37 1 #Down
37 36 38 1
38 37 39 1
39 37 40 2
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