ATOM 25
1 C1z C 27.1487 -17.0793
2 C1y C 27.1662 -15.6602
3 C8y C 26.0099 -17.7391
4 C1y C 28.2818 -17.7391
5 C1y C 28.3109 -16.3842
6 C1y C 28.2758 -15.1170
7 O2x O 27.1429 -14.3635
8 C8y C 26.0099 -19.0415
9 C8x C 24.8711 -17.0850
10 N1y N 28.2818 -19.0475
11 C1x C 29.4146 -17.0850
12 C1x C 29.4439 -18.3466
13 O1a O 30.9973 -17.2194
14 C1y C 29.4146 -15.7769
15 C8y C 24.8828 -19.7073
16 C1x C 27.1487 -19.7015
17 C8y C 23.7381 -17.7508
18 O2a O 30.5768 -15.0820
19 C8y C 23.7440 -19.0532
20 O2a O 24.8828 -21.0622
21 O2x O 22.4883 -17.3479
22 C1a C 31.7449 -15.7594
23 O2x O 22.4941 -19.4621
24 C1a C 26.0567 -21.7222
25 C1x C 21.7174 -18.4108
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 2
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1
14 8 15 1
15 8 16 1
16 9 17 2
17 14 18 1 #Down
18 15 19 2
19 15 20 1
20 17 21 1
21 18 22 1
22 19 23 1
23 20 24 1
24 21 25 1
25 6 7 1
26 10 12 1 #Up
27 10 16 1
28 11 14 1
29 17 19 1
30 23 25 1
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