ATOM 27
1 N1x N 26.0706 -18.3280
2 C1y C 27.4495 -18.3280
3 C1z C 28.4148 -19.2933
4 C1z C 28.4148 -20.6723
5 C1z C 27.4495 -21.6375
6 C1y C 26.0706 -21.6375
7 C2y C 25.1053 -20.6723
8 C1x C 25.1053 -19.2933
9 C8y C 29.7249 -21.0859
10 C8y C 30.5523 -19.9828
11 N1x N 29.7249 -18.8796
12 C8x C 30.2765 -22.3960
13 C8x C 31.6555 -22.5339
14 C8x C 32.4829 -21.4307
15 C8x C 31.9313 -20.1207
16 C1a C 22.7610 -20.6723
17 C2b C 23.9331 -21.3617
18 C1b C 28.1152 -22.9115
19 C7a C 26.7743 -22.8399
20 O1a O 29.5149 -22.9022
21 O7a O 25.3819 -22.7878
22 O6a O 27.4323 -24.0137
23 O2x O 27.0030 -19.4073
24 C1x C 28.0096 -20.0405
25 C1x C 27.2275 -20.7015
26 C1x C 26.0467 -19.3293
27 C1a C 24.6305 -23.9829
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1
9 4 9 1
10 9 10 1
11 10 11 1
12 3 11 1
13 9 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 10 15 2
18 16 17 1
19 17 7 2
20 5 18 1
21 5 19 1
22 18 20 1
23 19 21 1
24 19 22 2
25 3 23 1
26 23 24 1
27 24 25 1
28 25 4 1
29 6 26 1
30 26 2 1
31 21 27 1
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