ATOM 48
1 C8y C 12.0497 -16.5946
2 C8x C 12.0497 -17.9954
3 C8x C 13.2401 -18.6959
4 C8y C 14.4307 -17.9954
5 C8y C 14.4307 -16.5946
6 C8y C 13.2401 -15.8943
7 N4x N 15.8314 -18.4857
8 C8y C 16.6019 -17.2951
9 C8y C 15.8314 -16.1744
10 C1z C 17.8625 -16.8748
11 C1y C 17.8625 -15.4741
12 C1x C 16.6019 -15.0539
13 C1z C 19.1232 -17.5051
14 C1z C 20.3138 -16.8748
15 C1x C 20.3138 -15.4741
16 C1x C 19.1232 -14.8437
17 C1x C 19.1232 -18.9759
18 C1x C 20.3138 -19.6763
19 C1y C 21.5044 -18.9759
20 C1z C 21.5044 -17.5051
21 O2x O 22.6951 -19.6763
22 C1y C 23.8857 -18.9759
23 C1y C 23.8857 -17.5051
24 C1y C 22.6951 -16.8748
25 C1a C 17.9325 -18.3456
26 C1d C 25.1463 -19.6763
27 C1a C 18.5629 -16.0343
28 C1a C 25.1463 -21.2872
29 C1a C 26.3369 -20.3767
30 O2x O 22.6951 -18.2755
31 O1a O 21.2944 -15.8943
32 C1x C 13.2401 -14.5636
33 C1y C 11.9797 -13.8633
34 C1y C 10.7890 -14.5636
35 C5x C 10.7890 -15.9643
36 O5x O 9.5984 -16.7347
37 C1z C 11.6995 -12.5327
38 O2x O 10.2988 -12.3926
39 C1z C 9.7385 -13.6531
40 C1a C 13.0300 -12.1826
41 C1a C 11.5594 -11.1321
42 C1a C 8.5479 -12.9528
43 C1a C 8.5479 -14.3536
44 O1a O 25.0750 -16.7890
45 O7a O 26.3586 -18.9763
46 C7a C 27.5895 -19.6874
47 C1a C 28.8015 -18.9880
48 O6a O 27.5891 -21.0686
BOND 56
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 11 16 1
20 13 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 14 20 1
25 19 21 1
26 21 22 1
27 22 23 1
28 23 24 1
29 20 24 1
30 10 25 1 #Down
31 22 26 1 #Up
32 13 27 1 #Up
33 26 28 1
34 26 29 1
35 20 30 1 #Down
36 24 30 1 #Down
37 14 31 1 #Down
38 6 32 1
39 32 33 1
40 34 35 1
41 1 35 1
42 34 33 1
43 35 36 2
44 33 37 1
45 37 38 1
46 38 39 1
47 34 39 1
48 37 40 1
49 37 41 1
50 39 42 1
51 39 43 1
52 23 44 1 #Down
53 26 45 1
54 45 46 1
55 46 47 1
56 46 48 2
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