ATOM 26
1 C1y C 27.3465 -17.7140
2 O2x O 28.5501 -17.0129
3 C1y C 27.3465 -19.1162
4 C1b C 26.1313 -17.0129
5 C1y C 29.7712 -17.7140
6 C1y C 28.5501 -19.8173
7 O1a O 26.1313 -19.6773
8 O2a O 25.0622 -17.9242
9 C1y C 29.7712 -19.1162
10 O2a O 30.9806 -17.0129
11 O1a O 28.5501 -21.2195
12 C1y C 23.8528 -18.6313
13 O1a O 30.9806 -19.8173
14 C1b C 32.1841 -17.7082
15 C1y C 23.8528 -20.0335
16 O2x O 22.6257 -17.9302
17 N2b N 33.3876 -17.0129
18 C1y C 22.6257 -20.7346
19 O1a O 25.0562 -20.8746
20 C1x C 21.4222 -18.6370
21 N2b N 34.5970 -17.7082 #+
22 C1y C 21.4222 -20.0335
23 O1a O 22.6257 -22.1367
24 C1a C 36.1564 -16.8612
25 O3a O 34.5913 -19.1045 #-
26 O1a O 20.2069 -20.7346
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 12 8 1 #Up
12 9 13 1 #Down
13 10 14 1
14 12 15 1
15 12 16 1
16 14 17 1
17 15 18 1
18 15 19 1 #Down
19 16 20 1
20 17 21 2
21 18 22 1
22 18 23 1 #Up
23 21 24 1
24 21 25 1
25 22 26 1 #Down
26 6 9 1
27 20 22 1
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