ATOM 25
1 C1z C 29.6155 -16.9271
2 C1y C 29.5981 -18.3331
3 C1y C 30.9514 -16.5191
4 C1x C 28.4078 -16.2219
5 C7x C 28.8171 -15.7779
6 C1y C 28.3845 -19.0163
7 C1x C 30.9280 -18.7890
8 C1x C 31.7686 -17.6570
9 C1y C 30.9747 -15.1192
10 C1x C 27.1883 -16.9038
11 O7x O 29.6505 -14.6645
12 C1y C 27.1766 -18.3040
13 C1x C 28.3845 -20.4162
14 C1a C 32.1242 -14.3077
15 C1z C 25.9703 -19.0046
16 C2x C 27.1650 -21.1099
17 C2y C 25.9644 -20.4047
18 C1x C 24.7569 -18.2981
19 C1a C 25.9586 -17.6046
20 C1x C 24.7569 -21.1039
21 C1x C 23.5432 -19.0046
22 C1y C 23.5432 -20.4047
23 N1b N 22.3237 -21.1039
24 C1a C 21.1103 -20.4047
25 O6a O 27.4621 -15.4101
BOND 29
1 1 3 1
2 1 4 1
3 1 5 1 #Up
4 2 6 1
5 2 7 1
6 3 8 1
7 3 9 1
8 4 10 1
9 5 11 1
10 6 12 1
11 6 13 1
12 9 14 1 #Up
13 12 15 1
14 13 16 1
15 15 17 1
16 15 18 1
17 15 19 1 #Up
18 17 20 1
19 18 21 1
20 20 22 1
21 22 23 1 #Up
22 23 24 1
23 7 8 1
24 9 11 1
25 10 12 1
26 16 17 2
27 21 22 1
28 1 2 1
29 5 25 2
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