ATOM 29
1 N1b N 28.6923 -20.2126
2 C1c C 29.9008 -19.5140
3 C6a C 31.1101 -20.2113
4 O6a O 32.3184 -19.5125
5 O6a O 31.1109 -21.6069
6 C1b C 29.9000 -18.1182
7 C8y C 31.1085 -17.4196
8 C8x C 33.5210 -17.4162
9 C8y C 33.5202 -16.0204
10 C8x C 32.3110 -15.3232
11 C8x C 31.1026 -16.0218
12 O1a O 34.7286 -15.3218
13 C5a C 27.4724 -19.5240
14 O5a O 27.4655 -18.1213
15 C1c C 26.2529 -20.2219
16 N1b N 25.0379 -19.5225
17 C1b C 26.2510 -21.6249
18 C1c C 27.4660 -22.3314
19 C1a C 27.4643 -23.7344
20 C1a C 28.6828 -21.6279
21 C5a C 23.8184 -20.2135
22 O5a O 23.8115 -21.6162
23 C1c C 22.5989 -19.5156
24 N1a N 21.3839 -20.2150
25 C1b C 22.5970 -18.1126
26 C1c C 23.8120 -17.4061
27 C1a C 23.8103 -16.0032
28 C1a C 25.0288 -18.1096
29 C8x C 32.3177 -18.1167
BOND 29
1 3 5 2
2 2 3 1
3 7 29 2
4 29 8 1
5 15 16 1
6 13 15 1
7 1 13 1
8 15 17 1 #Down
9 17 18 1
10 18 19 1
11 18 20 1
12 13 14 2
13 8 9 2
14 9 10 1
15 10 11 2
16 11 7 1
17 2 6 1 #Up
18 9 12 1
19 1 2 1
20 6 7 1
21 23 24 1
22 21 23 1
23 16 21 1
24 23 25 1 #Up
25 25 26 1
26 26 27 1
27 26 28 1
28 21 22 2
29 3 4 1
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