ATOM 36
1 C1x C 21.9545 -19.9156
2 C1z C 21.9545 -21.3134
3 C1y C 23.1649 -22.0123
4 C1y C 24.3755 -21.3134
5 C1y C 24.3755 -19.9156
6 O2x O 23.1649 -19.2168
7 O2a O 25.6046 -19.2058
8 C1y C 26.8151 -18.5069
9 C1y C 28.0539 -19.2223
10 C1x C 29.2645 -18.5235
11 C1y C 29.2647 -17.1257
12 C1y C 28.0259 -16.4104
13 C1y C 26.8153 -17.1091
14 O1a O 25.6046 -22.0233
15 C1a C 21.5928 -22.6635
16 O1a O 20.5567 -21.3134
17 N1b N 23.1649 -23.4099
18 C1a C 21.9377 -24.1186
19 N1a N 28.0537 -20.6144
20 O1a O 25.6332 -16.4263
21 N1b N 30.4986 -16.4133
22 O2a O 28.0261 -14.8835
23 C1y C 29.5932 -13.9710
24 O2x O 30.7898 -14.6623
25 C1y C 32.0005 -13.9637
26 C1x C 32.0008 -12.5660
27 C1x C 30.8042 -11.8747
28 C1y C 29.5935 -12.5732
29 C1c C 33.2294 -14.6736
30 Z R# 34.4232 -13.9846
31 N1b N 33.2291 -16.0710
32 Z R# 34.4229 -16.7607
33 N1a N 28.3694 -11.8660
34 C5a C 31.7122 -17.1139
35 C1a C 31.7441 -18.4796
36 O5a O 32.3546 -16.4616
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Down
8 8 7 1 #Down
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 4 14 1 #Down
16 2 15 1 #Down
17 2 16 1 #Up
18 3 17 1 #Up
19 17 18 1
20 9 19 1 #Up
21 13 20 1 #Up
22 11 21 1 #Up
23 12 22 1 #Down
24 23 22 1 #Down
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 23 28 1
31 25 29 1
32 29 30 1 #Up
33 29 31 1
34 31 32 1
35 28 33 1 #Down
36 21 34 1
37 34 35 1
38 34 36 2
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