ATOM 22
1 C1y C 29.7670 -19.3270
2 C1y C 28.5954 -20.0031
3 C1z C 29.7670 -17.9748
4 C1x C 32.1099 -19.3270
5 C1y C 27.4297 -19.3270
6 C1x C 28.6596 -21.3553
7 N2x N 30.9501 -17.2987
8 C1x C 28.5954 -17.2987
9 C1a C 29.7610 -16.3907
10 C2y C 32.1099 -17.9748
11 C1z C 26.2465 -20.0031
12 C5x C 27.4297 -17.9748
13 C1x C 27.4297 -22.0314
14 C1y C 26.2465 -21.3553
15 C1x C 25.0809 -19.3270
16 C1a C 26.2349 -18.6509
17 C1x C 25.0809 -22.0314
18 C1x C 23.9094 -20.0031
19 C1y C 23.9094 -21.3553
20 O1a O 22.7262 -22.0314
21 O5x O 26.2160 -17.2756
22 N1a N 33.3081 -17.2865
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 11 14 1
14 11 15 1
15 11 16 1 #Up
16 14 17 1
17 15 18 1
18 17 19 1
19 19 20 1 #Up
20 7 10 2
21 8 12 1
22 13 14 1
23 18 19 1
24 12 21 2
25 10 22 1
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