ATOM 43
1 C8y C 23.9713 -19.7363
2 C8y C 23.5487 -18.4071
3 C1b C 25.1780 -20.4386
4 N4x N 22.8534 -20.5545
5 C8y C 22.1512 -18.4071
6 C1b C 24.2306 -17.2005
7 C8y C 26.3913 -19.7363
8 C8y C 21.7082 -19.7363
9 C1a C 21.4424 -17.1868
10 C1b C 23.5351 -16.0144
11 C8y C 26.8209 -18.4003
12 N4x N 27.5300 -20.5545
13 C1b C 20.5014 -20.4454
14 C6a C 23.5214 -14.6168
15 C8y C 28.2251 -18.4003
16 C1b C 26.1325 -17.1937
17 C8y C 28.6617 -19.7363
18 C1y C 19.3042 -19.7500
19 O6a O 22.3081 -13.9285
20 O6a O 24.7214 -13.9217
21 C1a C 28.9274 -17.1732
22 C1b C 26.8141 -15.9735
23 C1b C 29.8546 -20.4180
24 C2y C 18.8726 -18.4139
25 N1x N 18.1706 -20.5748
26 C6a C 26.8141 -14.5760
27 C1y C 31.0747 -19.7229
28 C2y C 17.4610 -18.4139
29 C1b C 19.5750 -17.1937
30 C5x C 17.0367 -19.7500
31 O6a O 28.0208 -13.8740
32 O6a O 25.5870 -13.8875
33 C2y C 31.4974 -18.3800
34 N1x N 32.2132 -20.5475
35 C1a C 17.1026 -17.0506
36 C1a C 19.2019 -15.8305
37 O5x O 15.8154 -20.4386
38 C2y C 32.9082 -18.3800
39 C1a C 30.8022 -17.1665
40 C5x C 33.3310 -19.7229
41 C1b C 33.6106 -17.1665
42 O5x O 34.5445 -20.4112
43 C1a C 32.9016 -15.9394
BOND 46
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 7 11 2
11 7 12 1
12 8 13 1
13 10 14 1
14 11 15 1
15 11 16 1
16 12 17 1
17 13 18 1
18 14 19 1
19 14 20 2
20 15 21 1
21 16 22 1
22 17 23 1
23 18 24 1
24 18 25 1
25 22 26 1
26 23 27 1
27 24 28 2
28 24 29 1
29 25 30 1
30 26 31 1
31 26 32 2
32 27 33 1
33 27 34 1
34 28 35 1
35 29 36 1
36 30 37 2
37 33 38 2
38 33 39 1
39 34 40 1
40 38 41 1
41 40 42 2
42 41 43 1
43 5 8 2
44 15 17 2
45 28 30 1
46 38 40 1
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