ATOM 27
1 N4y N 31.8260 -18.1692
2 C8y C 32.8853 -18.9065
3 C1y C 30.5267 -18.5847
4 C8x C 32.3000 -16.7704
5 C8y C 34.1200 -17.9995
6 N5x N 33.0199 -20.3288
7 O2x O 29.3913 -17.7361
8 C1y C 30.0996 -19.8371
9 N5x N 33.7456 -16.7763
10 C8y C 35.3783 -18.5555
11 C8x C 34.3483 -20.9199
12 C1y C 28.2853 -18.5261
13 C1y C 28.7185 -19.8371
14 O1a O 30.5092 -21.1714
15 N5x N 35.5363 -20.0419
16 N1a N 36.4843 -17.7302
17 C1b C 26.9862 -18.1165
18 O1a O 28.2678 -21.1656
19 Z Se 25.8742 -18.9533 #+
20 C1b C 24.6569 -18.2510
21 C1a C 25.8862 -20.4162
22 C1b C 23.4455 -18.9475
23 C1c C 22.2398 -18.2510
24 C6a C 21.0284 -18.9475
25 N1a N 22.2398 -16.8466
26 O6a O 19.8170 -18.2510
27 O6a O 21.0284 -20.3462
BOND 29
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 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 19 21 1
21 20 22 1
22 22 23 1
23 23 24 1
24 23 25 1 #Up
25 24 26 1
26 24 27 2
27 5 9 1
28 11 15 1
29 12 13 1
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