ATOM 23
1 C1y C 22.1095 -24.4139
2 C1y C 22.1095 -25.8130
3 C1y C 23.3211 -26.5126
4 C1y C 24.5329 -25.8130
5 C1y C 24.5329 -24.4139
6 O2x O 23.3211 -23.7144
7 O2a O 25.7632 -23.7034
8 C1b C 20.8978 -23.7144
9 O1a O 23.3211 -27.9115
10 O1a O 20.8978 -26.5126
11 O1a O 25.7632 -26.5236
12 O1a O 19.7031 -24.4043
13 C1y C 26.9748 -23.0038
14 C1y C 28.2148 -23.7199
15 C1y C 29.4266 -23.0205
16 C2x C 29.4268 -21.6214
17 C2x C 28.1867 -20.9052
18 C2y C 26.9750 -21.6047
19 C2b C 25.7918 -20.9212
20 C3b C 24.6013 -21.6084
21 O1a O 30.6566 -23.7312
22 O1a O 28.2146 -25.1134
23 N3a N 23.4129 -20.9219
BOND 24
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 #Up
8 1 8 1 #Up
9 3 9 1 #Up
10 2 10 1 #Down
11 4 11 1 #Down
12 8 12 1
13 13 7 1 #Up
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 13 18 1
20 18 19 2
21 19 20 1
22 15 21 1 #Up
23 14 22 1 #Down
24 20 23 3
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