ATOM 21
1 C1y C 23.3119 -17.0055
2 C1y C 22.1151 -16.3197
3 C1y C 24.5153 -16.3072
4 C1x C 23.2930 -18.4394
5 C1z C 20.9243 -17.0181
6 C1x C 22.1026 -14.9294
7 C1z C 24.5214 -14.9170
8 C1x C 26.9217 -16.3134
9 C2x C 22.1212 -19.0753
10 C2y C 20.9243 -18.3895
11 C1x C 19.7522 -16.3447
12 C1a C 20.9056 -15.3470
13 C1x C 23.3058 -14.2312
14 N1x N 25.7247 -14.2250
15 C1a C 24.5213 -13.2620
16 C1x C 26.9217 -14.9294
17 C1x C 19.7334 -19.0816
18 C1x C 18.5616 -17.0181
19 C1y C 18.5616 -18.3895
20 C1x C 25.6969 -17.0208
21 O1a O 17.2936 -19.1133
BOND 24
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 4 9 1
8 5 10 1
9 5 11 1
10 5 12 1 #Up
11 6 13 1
12 7 14 1
13 7 15 1 #Up
14 8 16 1
15 10 17 1
16 11 18 1
17 17 19 1
18 7 13 1
19 9 10 2
20 14 16 1
21 18 19 1
22 8 20 1
23 20 3 1
24 19 21 1 #Up
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