ATOM 25
1 C1y C 30.2264 -14.8915
2 N1y N 30.2264 -16.2906
3 C2y C 31.4381 -16.9900
4 C2y C 32.6498 -16.2906
5 C1x C 32.6498 -14.8915
6 S2x S 31.4381 -14.1919
7 C1y C 28.8273 -14.8915
8 C5x C 28.8273 -16.2906
9 N1b N 27.6157 -14.1919
10 C5a C 26.4038 -14.8915
11 O5a O 26.4038 -16.2906
12 O5x O 27.6157 -16.9900
13 C1c C 25.1922 -14.1919
14 C1a C 33.8801 -17.0012
15 C6a C 31.4381 -18.3890
16 O6a O 30.2096 -19.0984
17 O6a O 32.6328 -19.0789
18 C8y C 23.9610 -14.9031
19 C8x C 22.7509 -14.2044
20 C8x C 21.5407 -14.9031
21 C8y C 21.5407 -16.3005
22 C8x C 22.7509 -16.9992
23 C8x C 23.9610 -16.3005
24 N1a N 25.1922 -12.7883
25 O1a O 20.3421 -16.9928
BOND 27
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 2 8 1
10 7 9 1 #Up
11 9 10 1
12 10 11 2
13 8 12 2
14 10 13 1
15 4 14 1
16 3 15 1
17 15 16 2
18 15 17 1
19 13 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 13 24 1 #Up
27 21 25 1
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