ATOM 23
1 C1y C 28.0911 -18.8364
2 C1z C 28.9020 -17.6869
3 C5a C 26.7025 -18.8305
4 N1x N 28.9311 -19.9624
5 C1x C 30.2439 -18.1129
6 C2b C 28.2078 -16.4734
7 C1a C 29.5962 -16.4677
8 C8y C 26.0024 -20.0441
9 O5a O 25.9907 -17.6111
10 C1y C 30.2615 -19.5132
11 C2a C 26.8133 -16.4734
12 C8y C 24.6779 -20.4699
13 C8x C 26.8250 -21.1758
14 C2b C 31.3932 -20.3182
15 C8y C 24.7422 -21.8702
16 C8x C 23.4645 -19.7756
17 N4x N 26.0024 -22.3077
18 C2c C 32.6651 -19.7405
19 C8x C 23.4645 -22.5820
20 C8x C 22.2510 -20.4699
21 C1a C 33.8087 -20.5400
22 C1a C 32.6593 -18.3345
23 C8x C 22.2510 -21.8759
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 2
9 4 10 1
10 6 11 2
11 8 12 1
12 8 13 2
13 10 14 1 #Up
14 12 15 2
15 12 16 1
16 13 17 1
17 14 18 2
18 15 19 1
19 16 20 2
20 18 21 1
21 18 22 1
22 19 23 2
23 5 10 1
24 15 17 1
25 20 23 1
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