ATOM 31
1 C1x C 22.4500 -20.6203
2 C1y C 22.4500 -22.0184
3 C1y C 23.6607 -22.7175
4 C1y C 24.8716 -22.0184
5 C1y C 24.8716 -20.6203
6 O2x O 23.6607 -19.9213
7 O2a O 26.1010 -19.9103
8 C1y C 27.3119 -19.2112
9 C1y C 28.5510 -19.9268
10 C1x C 29.7619 -19.2278
11 C1y C 29.7621 -17.8296
12 C1y C 28.5230 -17.1141
13 C1y C 27.3121 -17.8130
14 O1a O 26.1010 -22.7285
15 O1a O 23.6607 -24.1155
16 N1a N 28.5508 -21.3192
17 O1a O 26.1296 -17.1300
18 N1a N 30.9963 -17.1170
19 O2a O 28.5232 -15.7269
20 C1y C 29.7406 -15.0242
21 O2x O 30.9375 -15.7157
22 C1y C 32.1485 -15.0169
23 C1y C 32.1488 -13.6188
24 C1y C 30.9519 -12.9273
25 C1y C 29.7409 -13.6260
26 C1b C 33.3777 -15.7270
27 N1a N 28.5165 -12.9186
28 O1a O 21.2707 -22.6988
29 O1a O 30.9522 -11.5523
30 O1a O 33.3389 -12.9325
31 O1a O 33.3771 -17.1535
BOND 33
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 3 15 1 #Up
17 9 16 1 #Up
18 13 17 1 #Up
19 11 18 1 #Up
20 12 19 1 #Down
21 20 19 1 #Down
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 20 25 1
28 22 26 1 #Up
29 25 27 1 #Down
30 2 28 1 #Down
31 24 29 1 #Up
32 23 30 1 #Down
33 26 31 1
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