ATOM 21
1 C8y C 25.4302 -16.7796
2 C8x C 25.4302 -18.1834
3 N5x N 26.6459 -18.8853
4 C8y C 27.8616 -18.1834
5 C8y C 27.8616 -16.7796
6 C8x C 26.6459 -16.0777
7 C1b C 24.2145 -16.0777
8 C1a C 23.0158 -16.7700
9 C6a C 29.0960 -16.0667
10 O6a O 30.3045 -16.7643
11 O6a O 29.0957 -14.6741
12 C2y C 29.0960 -18.8963
13 N1x N 29.5235 -20.2172
14 C5x C 30.9145 -20.2217
15 C1z C 31.3487 -18.9001
16 N2x N 30.2260 -18.0788
17 O5x O 31.7313 -21.3536
18 C1a C 32.3414 -17.9075
19 C1c C 32.5214 -19.6214
20 C1a C 33.7686 -18.9472
21 C1a C 32.5533 -20.9984
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 5 9 1
10 9 10 1
11 9 11 2
12 4 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 12 16 2
18 14 17 2
19 15 18 1
20 15 19 1
21 19 20 1
22 19 21 1
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