ATOM 78
1 C1c C 18.4340 -14.6821
2 C5a C 18.7536 -13.4227
3 O7a O 19.4696 -16.0182
4 C1c C 17.1682 -14.4967
5 N1b N 20.3391 -12.8154
6 O5a O 17.8586 -12.4702
7 C7a C 18.4787 -17.2136
8 C1a C 16.7016 -13.2885
9 C1a C 16.3499 -15.5004
10 C1c C 19.9874 -11.1788
11 C1c C 18.8367 -18.4794
12 O6a O 17.2258 -16.8365
13 C7a C 20.9015 -10.2393
14 C1c C 18.9965 -10.3798
15 N1b N 20.2047 -18.9460
16 C1c C 17.6413 -18.9460
17 O7a O 22.4805 -10.1881
18 O6a O 20.3135 -8.8455
19 C1a C 19.1947 -9.0885
20 C1a C 17.7692 -10.8401
21 C5a C 20.1472 -20.6657
22 C1a C 17.4431 -20.2119
23 C1a C 16.6120 -18.1277
24 C1c C 23.0878 -8.9287
25 C1c C 21.1125 -21.5798
26 O5a O 19.0221 -21.1451
27 C5a C 24.3472 -8.5643
28 C1a C 22.1353 -7.7141
29 O7a O 22.6724 -21.2730
30 C1a C 20.6715 -22.8903
31 N1b N 25.5490 -9.6638
32 O5a O 24.7500 -7.3112
33 C7a C 23.3563 -22.8073
34 C1c C 26.8786 -8.5131
35 C1c C 24.5902 -23.1460
36 O6a O 22.7682 -23.9324
37 C7a C 28.1382 -8.8455
38 C1c C 27.0768 -7.2602
39 N1b N 25.7663 -22.1488
40 C1c C 24.3983 -24.3990
41 O7a O 28.8860 -10.3798
42 O6a O 29.1035 -7.9123
43 C1a C 26.0605 -6.4419
44 C1a C 28.2724 -6.7871
45 C5a C 27.1601 -23.0948
46 C1a C 25.4083 -25.2173
47 C1a C 23.1964 -24.8657
48 C1c C 30.3819 -10.0793
49 C1c C 28.3810 -22.7240
50 O5a O 26.8786 -24.4758
51 C5a C 31.3217 -10.9871
52 C1c C 31.1937 -9.0630
53 O7a O 29.0458 -21.2281
54 C1c C 28.8541 -23.9387
55 N1b N 31.4368 -12.7131
56 O5a O 32.6131 -10.5077
57 C1a C 30.7592 -7.8674
58 C1a C 32.4724 -9.2802
59 C7a C 30.5801 -21.4135
60 C1a C 28.0358 -24.9487
61 C1a C 30.1454 -24.1306
62 C1c C 32.6385 -13.1734
63 C1c C 31.4942 -20.4738
64 O6a O 31.0467 -22.8392
65 C7a C 33.0220 -14.4392
66 C1c C 33.8724 -12.7131
67 N1b N 31.5517 -18.7478
68 C1c C 32.4979 -21.2730
69 O7a O 32.1144 -16.0182
70 O6a O 34.2751 -14.6565
71 C1a C 34.0641 -11.4409
72 C1a C 34.8503 -13.5314
73 C5a C 32.7473 -18.2300
74 C1a C 33.7061 -20.8127
75 C1a C 32.3126 -22.5642
76 C1c C 33.0541 -16.9707
77 O5a O 33.9490 -18.6392
78 C1a C 34.2751 -16.3953
BOND 78
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 4 9 1
9 10 5 1 #Down
10 7 11 1
11 7 12 2
12 10 13 1
13 10 14 1
14 11 15 1 #Up
15 11 16 1
16 13 17 1
17 13 18 2
18 14 19 1
19 14 20 1
20 15 21 1
21 16 22 1
22 16 23 1
23 17 24 1
24 21 25 1
25 21 26 2
26 24 27 1
27 24 28 1 #Up
28 25 29 1
29 25 30 1 #Up
30 27 31 1
31 27 32 2
32 29 33 1
33 34 31 1 #Up
34 33 35 1
35 33 36 2
36 34 37 1
37 34 38 1
38 35 39 1
39 35 40 1
40 37 41 1
41 37 42 2
42 38 43 1
43 38 44 1
44 39 45 1
45 40 46 1
46 40 47 1
47 48 41 1 #Down
48 45 49 1
49 45 50 2
50 48 51 1
51 48 52 1
52 49 53 1 #Down
53 49 54 1
54 51 55 1
55 51 56 2
56 52 57 1
57 52 58 1
58 53 59 1
59 54 60 1
60 54 61 1
61 62 55 1 #Down
62 59 63 1
63 59 64 2
64 62 65 1
65 62 66 1
66 63 67 1 #Up
67 63 68 1
68 65 69 1
69 65 70 2
70 66 71 1
71 66 72 1
72 67 73 1
73 68 74 1
74 68 75 1
75 69 76 1
76 73 77 2
77 76 78 1 #Up
78 73 76 1
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