ATOM 39
1 C8y C 26.6057 -17.5236
2 C8y C 26.6174 -16.1306
3 N2y N 27.9287 -17.9606 #+
4 C8x C 25.3877 -18.2054
5 C1x C 27.9461 -15.6993
6 C8x C 25.4169 -15.4196
7 C1y C 28.7621 -16.8359
8 C2b C 27.9287 -19.3651
9 C8y C 24.1930 -17.5003
10 C8y C 24.2047 -16.1073
11 C6a C 30.1607 -16.8300
12 C2b C 29.1408 -20.0703
13 O1a O 22.9751 -18.1820
14 O2a O 23.0042 -15.3906
15 O6a O 30.8601 -15.6179
16 O6a O 30.8601 -18.0480 #-
17 C2y C 29.1408 -21.4748
18 C1y C 23.0100 -13.9919
19 C1x C 27.9228 -22.1682
20 C2x C 30.3531 -22.1682
21 O2x O 24.2163 -13.2925
22 C1y C 21.7921 -13.2925
23 C1y C 27.9228 -23.5728
24 C2y C 30.3531 -23.5728
25 C1y C 24.2163 -11.8939
26 C1y C 21.7921 -11.8998
27 O1a O 20.5741 -13.9976
28 N1x N 29.1408 -24.2779
29 C6a C 26.7107 -24.2779
30 C6a C 31.5652 -24.2779
31 C1y C 23.0042 -11.1888
32 C1b C 25.4286 -11.1888
33 O1a O 20.5741 -11.1945
34 O6a O 25.4926 -23.5728
35 O6a O 26.7107 -25.6766
36 O6a O 31.5652 -25.6766
37 O6a O 32.7832 -23.5728
38 O1a O 23.0042 -9.7958
39 O1a O 25.4227 -9.7842
BOND 42
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 6 10 2
10 7 11 1 #Up
11 8 12 1
12 9 13 1
13 10 14 1
14 11 15 2
15 11 16 1
16 12 17 2
17 18 14 1 #Up
18 17 19 1
19 17 20 1
20 18 21 1
21 18 22 1
22 19 23 1
23 20 24 2
24 21 25 1
25 22 26 1
26 22 27 1 #Down
27 23 28 1
28 23 29 1 #Up
29 24 30 1
30 25 31 1
31 25 32 1 #Up
32 26 33 1 #Up
33 29 34 1
34 29 35 2
35 30 36 1
36 30 37 2
37 31 38 1 #Down
38 32 39 1
39 5 7 1
40 9 10 1
41 24 28 1
42 26 31 1
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