ATOM 19
1 N4y N 20.8941 -14.6788
2 C8y C 19.6177 -14.2576
3 C1y C 20.0391 -16.9344
4 C8x C 21.6812 -13.5821
5 C8y C 19.6177 -12.9129
6 N5x N 18.4342 -14.9329
7 O2x O 18.9237 -16.1288
8 C1x C 19.6301 -18.1986
9 N5x N 20.9004 -12.5100
10 C8y C 18.4464 -12.2189
11 C8x C 17.2444 -14.1956
12 C1y C 17.8331 -16.9159
13 C1y C 18.2606 -18.1986
14 N5x N 17.1929 -12.8942
15 N1b N 18.4527 -10.8742
16 C1b C 16.5504 -16.5193
17 O1a O 17.4161 -19.1553
18 C1a C 17.2940 -10.1926
19 O1a O 15.2057 -16.5193
BOND 21
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 10 14 2
14 10 15 1
15 12 16 1 #Up
16 13 17 1 #Down
17 15 18 1
18 16 19 1
19 5 9 1
20 11 14 1
21 12 13 1
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