ATOM 15
1 N1x N 31.4300 -20.3000
2 C1x C 32.7600 -20.3000
3 C1y C 33.1800 -19.0400
4 C1y C 32.0600 -18.2700
5 C1y C 31.0100 -19.0400
6 C1b C 32.0600 -16.0300
7 C6a C 33.2500 -15.3300
8 O6a O 34.3700 -16.0300
9 O6a O 33.2500 -14.0000
10 C1a C 35.4900 -19.0400
11 C2c C 34.3700 -18.3400
12 C6a C 29.8200 -18.3400
13 O6a O 28.7000 -19.0400
14 O6a O 29.8200 -17.0100
15 C2a C 34.3700 -17.0100
BOND 15
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1 #Up
7 6 7 1
8 7 8 1
9 7 9 2
10 10 11 1
11 3 11 1 #Up
12 5 12 1 #Down
13 12 13 1
14 12 14 2
15 11 15 2
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