ATOM 54
1 C8y C 26.2461 -16.4997
2 C8y C 26.2400 -17.8697
3 C8y C 27.4268 -18.5599
4 C8x C 28.5426 -17.8800
5 C8y C 25.0675 -18.5548
6 C5x C 25.0690 -19.9274
7 C8y C 23.8661 -17.8851
8 C1c C 22.6908 -15.8335
9 C8y C 23.8696 -16.5253
10 C8y C 25.0595 -15.8530
11 C1c C 22.7020 -14.4698
12 C1c C 23.9620 -13.7977
13 C1c C 25.0949 -11.7680
14 C1c C 23.9059 -12.4365
15 C1c C 26.2631 -12.4606
16 O1a O 26.2477 -13.8155
17 C1c C 27.4474 -11.7963
18 C2b C 28.6093 -12.4872
19 C2c C 30.9366 -13.8660
20 C2b C 30.9534 -12.5163
21 C2b C 29.7898 -11.8270
22 C5a C 29.7561 -14.5262
23 O5a O 28.7423 -13.6940
24 C8y C 27.4072 -15.8264
25 C8y C 28.5608 -16.5186
26 N1b N 29.7317 -15.8685
27 O5x O 26.2472 -20.6915
28 O2a O 27.4209 -19.9301
29 C1c C 21.5043 -16.5139
30 C2b C 21.5009 -17.8788
31 C2b C 20.3141 -18.5511
32 O2a O 20.3046 -19.9821
33 C1z C 22.6616 -19.9286
34 O2x O 22.6711 -18.5675
35 C1a C 22.6530 -21.2950
36 C1b C 28.5994 -20.6099
37 C6a C 29.7859 -19.9248
38 O6a O 30.9724 -20.6099
39 O6a O 29.7859 -18.5548
40 C1a C 32.1105 -14.5659
41 O2a O 20.3168 -15.8247
42 C1a C 19.1317 -16.5058
43 C1a C 21.5018 -15.0037
44 C1a C 25.1019 -10.3980
45 C1a C 27.4628 -10.4265
46 C1a C 22.6954 -12.8297
47 O7a O 21.5250 -13.7750
48 O1a O 22.7247 -11.7297
49 C7a C 20.3296 -13.0886
50 C1a C 19.1475 -13.7750
51 O6a O 20.3279 -11.7185
52 O1a O 27.4175 -14.4564
53 O1a O 25.0475 -14.4830
54 C1a C 23.1607 -15.2625
BOND 57
1 25 26 1
2 26 22 1
3 11 8 1
4 6 27 2
5 24 1 1
6 3 28 1
7 5 2 1
8 30 29 1
9 1 10 1
10 15 13 1
11 13 14 1
12 14 12 1
13 5 7 2
14 30 31 2
15 31 32 1
16 33 34 1
17 32 33 1
18 33 6 1
19 6 5 1
20 33 35 1 #Down
21 28 36 1
22 15 16 1 #Down
23 36 37 1
24 18 17 1
25 37 38 1
26 17 15 1
27 37 39 2
28 34 7 1
29 19 40 1
30 7 9 1
31 29 41 1 #Down
32 8 29 1
33 41 42 1
34 1 2 2
35 8 43 1 #Down
36 14 48 1 #Down
37 22 19 1
38 13 44 1 #Down
39 19 20 2
40 17 45 1 #Up
41 20 21 1
42 12 46 1 #Up
43 21 18 2
44 11 47 1 #Up
45 2 3 1
46 3 4 2
47 47 49 1
48 4 25 1
49 49 50 1
50 9 10 2
51 49 51 2
52 12 11 1
53 24 52 1
54 22 23 2
55 10 53 1
56 24 25 2
57 9 54 1
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