ATOM 18
1 C2c C 30.5714 -20.8958
2 C2b C 29.3607 -20.1966
3 C8y C 28.1582 -20.8908
4 O2x O 27.0396 -20.0589
5 C8y C 25.9073 -20.8691
6 C8x C 26.3279 -22.1965
7 C8x C 27.7203 -22.2065
8 N2b N 24.6796 -20.1603 #+
9 O3a O 23.5217 -21.2191 #-
10 O3a O 24.6801 -18.7695
11 C5a C 31.7826 -20.1968
12 C8y C 30.5707 -22.3299
13 N1a N 33.0072 -20.9037
14 O5a O 31.7826 -18.8300
15 C8x C 29.4504 -23.1432
16 C8x C 29.8777 -24.4601
17 C8x C 31.2622 -24.4606
18 O2x O 31.6905 -23.1441
BOND 19
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 3 7 2
8 5 8 1
9 8 9 1
10 8 10 2
11 1 11 1
12 1 12 1
13 11 13 1
14 11 14 2
15 12 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 12 18 1
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