ATOM 37
1 N4y N 27.8966 -18.4800
2 C8y C 28.9662 -19.2282
3 C1y C 26.6049 -18.9067
4 C8x C 28.3818 -17.0773
5 C8y C 30.2052 -18.3105
6 N5x N 29.1006 -20.6544
7 C1y C 26.1723 -20.1633
8 O2x O 25.4652 -18.0475
9 N5x N 29.8371 -17.0890
10 C8y C 31.4678 -18.8716
11 C8x C 30.4332 -21.2447
12 C1y C 24.7813 -20.1633
13 O1a O 26.8329 -21.3030
14 C1y C 24.3546 -18.8484
15 N5x N 31.6314 -20.3622
16 N1c N 32.5782 -18.0417
17 N1b N 23.9631 -21.2973
18 C1b C 23.0220 -18.4099
19 C1a C 33.8642 -18.5911
20 C1a C 32.4146 -16.6506
21 C5a C 24.6528 -22.5012
22 O1a O 21.9816 -19.3452
23 C1c C 23.9455 -23.7111
24 O5a O 26.0496 -22.5072
25 C1b C 24.6411 -24.9152
26 N1b N 22.5486 -23.7054
27 C8y C 26.0379 -24.9152
28 C5a C 21.8413 -24.9093
29 C8x C 26.7276 -26.1251
30 C8x C 26.7393 -23.7170
31 C1a C 20.4445 -24.9035
32 O5a O 22.5369 -26.1251
33 C8x C 28.1187 -26.1309
34 C8x C 28.1304 -23.7170
35 C8y C 28.8201 -24.9269
36 O2a O 30.2169 -24.9327
37 C1a C 30.9125 -23.7111
BOND 40
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 7 13 1 #Down
13 8 14 1
14 10 15 2
15 10 16 1
16 12 17 1 #Down
17 14 18 1 #Up
18 16 19 1
19 16 20 1
20 17 21 1
21 18 22 1
22 21 23 1
23 21 24 2
24 23 25 1
25 23 26 1 #Down
26 25 27 1
27 26 28 1
28 27 29 2
29 27 30 1
30 28 31 1
31 28 32 2
32 29 33 1
33 30 34 2
34 33 35 2
35 35 36 1
36 36 37 1
37 5 9 1
38 11 15 1
39 12 14 1
40 34 35 1
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