ATOM 18
1 C8y C 32.2969 -16.8280
2 C2c C 31.0742 -17.5340
3 C2b C 29.8685 -16.8377
4 C8y C 28.6709 -17.5291
5 O2x O 27.5568 -16.7006
6 C8y C 26.4291 -17.5075
7 C8x C 26.8480 -18.8294
8 C8x C 28.2347 -18.8394
9 N2b N 25.2064 -16.8015 #+
10 O3a O 23.9835 -17.5075 #-
11 O3a O 25.2069 -15.4164
12 C5a C 31.0743 -18.9000
13 N1a N 32.2911 -19.6024
14 O5a O 29.8662 -19.5976
15 O2x O 32.2969 -15.4280
16 C8x C 33.6284 -17.2606
17 C8x C 34.4513 -16.1280
18 C8x C 33.6284 -14.9954
BOND 19
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 2
7 7 8 1
8 4 8 2
9 6 9 1
10 9 10 1
11 9 11 2
12 2 12 1
13 12 13 1
14 12 14 2
15 1 15 1
16 1 16 2
17 16 17 1
18 17 18 2
19 15 18 1
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