ATOM 20
1 C1z C 27.5800 -18.2241
2 C1y C 28.7293 -19.0532
3 C1y C 28.0176 -16.8795
4 C1x C 26.4422 -19.0618
5 C5x C 26.2051 -18.5086
6 C1y C 28.2902 -20.3996
7 C1y C 29.8783 -18.2192
8 C1x C 29.4355 -16.8739
9 C1x C 27.0855 -15.8250
10 C1y C 26.8760 -20.3941
11 C2x C 25.2585 -17.4646
12 O5x O 25.7545 -19.8366
13 C1x C 28.9950 -21.6225
14 O1a O 31.2030 -18.6586
15 C2y C 25.7030 -16.1200
16 C1x C 26.1778 -21.6155
17 C1x C 28.2845 -22.8350
18 C1a C 24.7603 -15.0582
19 N1y N 26.8759 -22.8314
20 C1a C 26.0906 -23.9991
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 1
13 7 14 1 #Down
14 9 15 1
15 10 16 1
16 13 17 1
17 15 18 1
18 16 19 1
19 19 20 1
20 6 10 1
21 7 8 1
22 11 15 2
23 17 19 1
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