ATOM 25
1 N1y N 31.6120 -15.0359
2 C1x C 31.6598 -13.6384
3 C5a C 30.4277 -15.7326
4 C1y C 32.9713 -15.5059
5 C1x C 33.0268 -13.1981
6 C1c C 29.2434 -15.0359
7 O5a O 30.4277 -17.1260
8 C1x C 33.8055 -14.4030
9 N1b N 28.0590 -15.7326
10 C1a C 29.3134 -13.6427
11 C1c C 26.8050 -15.1057
12 C1b C 25.6206 -15.8023
13 C6a C 26.8050 -13.7123
14 C1b C 24.3666 -15.1057
15 O6a O 25.5510 -13.0156
16 O6a O 27.9894 -12.9460
17 C8y C 23.1823 -15.8023
18 C8x C 21.9648 -15.1126
19 C8x C 20.7607 -15.8208
20 C8x C 20.7721 -17.2178
21 C8x C 21.9896 -17.9076
22 C8x C 23.1937 -17.1992
23 C6a C 32.9713 -16.9029
24 O6a O 31.7601 -17.6022
25 O6a O 34.1784 -17.5999
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 6 9 1
9 6 10 1 #Up
10 9 11 1
11 11 12 1
12 11 13 1 #Up
13 12 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 5 8 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 17 22 1
24 4 23 1 #Up
25 23 24 2
26 23 25 1
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