ATOM 20
1 N4y N 29.7500 -16.9400
2 C8y C 31.1441 -16.9668
3 C1y C 28.1400 -17.7100
4 C8x C 29.2456 -15.6340
5 C8y C 31.4567 -15.5304
6 N2x N 31.9266 -17.9903
7 O2x O 27.0200 -16.8700
8 C1y C 27.7200 -19.0400
9 N5x N 30.3581 -14.7841
10 C5x C 32.6953 -15.0069
11 C2x C 33.3017 -18.0145
12 C1y C 25.9000 -17.7100
13 C1y C 26.3200 -19.0400
14 O1a O 28.4900 -20.1600
15 C1x C 33.9858 -15.5891
16 N1x N 34.1827 -16.9538
17 C1b C 24.5700 -17.2900
18 O1a O 25.4800 -20.1600
19 O1a O 23.5200 -18.2000
20 O5x O 32.7169 -13.6509
BOND 22
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 1
15 11 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 5 9 1
20 12 13 1
21 15 16 1
22 10 20 2
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