ATOM 12
1 N1a N 36.6205 -12.8855
2 C1c C 37.8109 -12.1852
3 C5a C 39.0713 -12.8855
4 N1b N 40.2617 -12.1852
5 C1b C 41.4521 -12.8855
6 C6a C 42.7125 -12.1852
7 O6a O 43.9028 -12.8855
8 C1b C 37.8109 -10.7848
9 S2a S 39.0013 -10.0845
10 O5a O 39.0713 -14.2859
11 O6a O 42.7125 -10.7848
12 R R 39.0013 -8.6845
BOND 11
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 8 1 #Up
8 8 9 1
9 3 10 2
10 6 11 2
11 9 12 1
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