ATOM 21
1 C1y C 24.1123 -19.0867
2 C2y C 25.3541 -18.6144
3 N1y N 24.0888 -20.4861
4 C1y C 22.6836 -18.7078
5 C2x C 26.2112 -19.7107
6 C1b C 25.3483 -17.2093
7 C1x C 25.4300 -20.8710
8 C1x C 22.7827 -20.9701
9 C1x C 21.9022 -19.8798
10 O1a O 22.6719 -17.3024
11 O7a O 26.5611 -16.5036
12 C7a C 27.7681 -17.2033
13 C1d C 28.9810 -16.4979
14 O6a O 27.7623 -18.6028
15 C1c C 28.9751 -15.0984
16 C1c C 30.1938 -17.1976
17 O1a O 30.1588 -15.6211
18 C1a C 30.1821 -14.3928
19 C1a C 27.7564 -14.3987
20 C1a C 31.4008 -16.4920
21 O1a O 30.1821 -18.5968
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 1 #Down
10 6 11 1
11 11 12 1
12 12 13 1
13 12 14 2
14 13 15 1 #Down
15 13 16 1
16 13 17 1 #Up
17 15 18 1
18 15 19 1
19 16 20 1
20 16 21 1 #Up
21 5 7 1
22 8 9 1
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