ATOM 25
1 C1y C 24.8667 -12.4332
2 C1y C 24.8667 -13.8142
3 O2x O 23.6239 -11.7427
4 C1y C 23.6239 -14.5047
5 O1a O 25.8334 -14.7118
6 C1x C 22.4500 -12.4332
7 C1y C 22.4500 -13.8142
8 O1a O 23.6239 -15.8856
9 O1a O 21.2762 -14.5047
10 O2a O 26.0493 -11.7377
11 C1b C 27.2524 -12.4600
12 C2c C 28.4649 -11.7600
13 C2b C 29.6773 -12.4600
14 C1b C 30.8897 -11.7600
15 N1b N 32.1022 -12.4600
16 C8y C 33.3146 -11.7600
17 C1a C 28.4649 -10.3602
18 C8y C 34.5311 -12.4623
19 C8y C 35.7435 -11.7623
20 N5x N 35.7435 -10.3623
21 C8x C 34.5271 -9.6600
22 N5x N 33.3146 -10.3600
23 N5x N 34.8222 -13.8318
24 C8x C 36.2145 -13.9781
25 N4x N 36.7839 -12.6991
BOND 27
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Down
5 3 6 1
6 4 7 1
7 4 8 1 #Up
8 7 9 1 #Down
9 6 7 1
10 1 10 1 #Up
11 10 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 15 16 1
17 12 17 1
18 16 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 16 22 2
24 18 23 1
25 23 24 2
26 24 25 1
27 19 25 1
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