ATOM 77
1 C8y C 5.9389 -15.1640
2 C1b C 7.1400 -15.9600
3 C1c C 8.3300 -15.2600
4 N1b N 9.5200 -15.9600
5 C5a C 10.7100 -15.2600
6 C5a C 8.3300 -13.8600
7 O5a O 9.5200 -13.1600
8 N1b N 7.1400 -13.1600
9 C1c C 7.1400 -11.7600
10 C5a C 8.3300 -11.0600
11 C1b C 5.9500 -11.0600
12 C1b C 4.7600 -11.7600
13 C6a C 3.5700 -11.0600
14 O6a O 2.3800 -11.7600
15 O6a O 3.5700 -9.6600
16 N1b N 9.5200 -11.7600
17 O5a O 8.3300 -9.6600
18 C1c C 10.7100 -11.0600
19 C1c C 11.9000 -11.7600
20 C1b C 13.0900 -11.0600
21 C1a C 14.2800 -11.7600
22 C6a C 10.7100 -9.6600
23 O6a O 11.9000 -8.9600
24 O6a O 9.5200 -8.9600
25 C1a C 11.9000 -13.1600
26 C1c C 11.9000 -15.9600
27 O5a O 10.7100 -13.8600
28 N1b N 13.0900 -15.2600
29 C1b C 11.9000 -17.3600
30 C1c C 10.7100 -18.0600
31 C1a C 9.5200 -17.3600
32 C1a C 10.7100 -19.4600
33 C5a C 14.2800 -15.9600
34 C1c C 15.4700 -15.2600
35 O5a O 14.2800 -17.3600
36 N1b N 16.6600 -15.9600
37 C1b C 15.4700 -12.9500
38 C5a C 17.8500 -15.2600
39 C1c C 19.0400 -15.9600
40 C1c C 16.6600 -12.2500
41 C1a C 17.8500 -12.9500
42 C1a C 16.6600 -10.8500
43 O5a O 17.8500 -13.8600
44 N1b N 20.2300 -15.2600
45 C1c C 19.0400 -17.3600
46 C1a C 20.2300 -18.0600
47 C1a C 17.8500 -18.0600
48 C5a C 21.4200 -15.9600
49 C1b C 22.6100 -15.2600
50 O5a O 21.4200 -17.3600
51 N1b N 23.8000 -15.9600
52 C5a C 24.9900 -15.2600
53 C1c C 26.1800 -15.9600
54 O5a O 24.9900 -13.8600
55 C1b C 27.3700 -15.2600
56 N1b N 26.1800 -17.3600
57 C5a C 27.3700 -18.0600
58 C1c C 28.5600 -17.3600
59 C1b C 29.7500 -18.0600
60 O1a O 30.9400 -17.3600
61 N1a N 28.5600 -15.9600
62 O5a O 27.3700 -19.4600
63 C8y C 27.3700 -13.8600
64 C8x C 28.5600 -13.1600
65 C8x C 28.5600 -11.7600
66 C8y C 27.3700 -11.0600
67 C8x C 26.1800 -11.7600
68 C8x C 26.1800 -13.1600
69 O1a O 27.3700 -9.6600
70 C8x C 1.7743 -15.6709
71 C8x C 2.5296 -16.8497
72 C8x C 3.9092 -16.7971
73 C8y C 4.5924 -15.5279
74 C8y C 3.8371 -14.3491
75 C8x C 2.3986 -14.4395
76 C8x C 5.9830 -13.8056
77 N4x N 4.7304 -13.2779
BOND 79
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 3 6 1 #Up
6 6 7 2
7 6 8 1
8 9 8 1 #Up
9 9 10 1
10 9 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 13 15 2
15 10 16 1
16 10 17 2
17 16 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 18 22 1 #Down
22 22 23 1
23 22 24 2
24 19 25 1 #Down
25 5 26 1
26 5 27 2
27 26 28 1
28 26 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 28 33 1
33 33 34 1
34 33 35 2
35 34 36 1
36 34 37 1 #Down
37 36 38 1
38 38 39 1
39 37 40 1
40 40 41 1
41 40 42 1
42 38 43 2
43 39 44 1
44 39 45 1 #Up
45 45 46 1
46 45 47 1
47 44 48 1
48 48 49 1
49 48 50 2
50 49 51 1
51 51 52 1
52 52 53 1
53 52 54 2
54 53 55 1
55 53 56 1 #Down
56 56 57 1
57 57 58 1
58 58 59 1
59 59 60 1
60 58 61 1 #Up
61 57 62 2
62 55 63 1
63 63 64 2
64 64 65 1
65 65 66 2
66 66 67 1
67 67 68 2
68 63 68 1
69 66 69 1
70 70 71 2
71 71 72 1
72 72 73 2
73 73 74 1
74 74 75 2
75 70 75 1
76 73 1 1
77 76 77 1
78 74 77 1
79 76 1 2
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