ATOM 25
1 C8y C 0.0448 1.0276
2 O7a O -0.6034 0.6517
3 C8x C 0.6966 0.6517
4 C8x C 0.0448 1.7724
5 C7a C -0.6034 -0.0793
6 C8x C 1.3483 1.0241
7 C8x C 0.6931 2.1517
8 C1c C -1.2586 -0.4448
9 O6a O 0.0345 -0.4724
10 C8y C 1.3448 1.7759
11 N1b N -1.2655 -1.2207
12 C1b C -1.9310 -0.0759
13 N2b N 1.9931 2.1517 #+
14 C7a C -0.6138 -1.5966
15 C5a C -2.5414 -0.4793
16 O3a O 1.9862 3.2966
17 O3a O 2.8897 1.8310 #-
18 O7a O 0.0345 -1.2172
19 O6a O -0.6138 -2.3448
20 N1a N -2.5552 -1.1621
21 O5a O -3.2241 -0.1517
22 C1d C 0.6828 -1.5931
23 C1a C 1.3310 -1.2172
24 C1a C 0.6862 -2.3414
25 C1a C 1.4034 -1.9414
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 5 9 2
9 6 10 1
10 8 11 1 #Up
11 8 12 1
12 10 13 1
13 11 14 1
14 12 15 1
15 13 16 2
16 13 17 1
17 14 18 1
18 14 19 2
19 15 20 1
20 15 21 2
21 18 22 1
22 22 23 1
23 22 24 1
24 22 25 1
25 7 10 2
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