ATOM 22
1 C1z C 28.2360 -17.5933
2 C8y C 28.2302 -16.2785
3 C1y C 29.3586 -18.2594
4 C1y C 27.0831 -18.2419
5 C1x C 29.3586 -16.9213
6 C8y C 27.0831 -15.6311
7 C8y C 29.3643 -15.6311
8 C1y C 30.4986 -17.6050
9 C2x C 29.3527 -19.5672
10 O2x O 25.7812 -16.8470
11 C1y C 27.0772 -19.5498
12 C1x C 31.6340 -16.9446
13 C8y C 27.0831 -14.3048
14 C1x C 30.5044 -16.2844
15 C8x C 29.3643 -14.3048
16 N1y N 31.6456 -18.2642
17 C2x C 28.2126 -20.2159
18 O2a O 25.9314 -20.2100
19 C8x C 28.2360 -13.6515
20 O1a O 25.9430 -13.6515
21 C1a C 32.9127 -17.9171
22 C1a C 24.7689 -19.5309
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 2
17 11 18 1 #Down
18 13 19 2
19 13 20 1
20 16 21 1
21 6 10 1
22 8 14 1
23 11 17 1
24 12 16 1
25 15 19 1
26 18 22 1
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