ATOM 79
1 C1c C 17.8835 -18.0708
2 N1b N 17.8835 -19.4789
3 C5a C 19.1029 -17.3667
4 C1y C 20.3225 -15.2545
5 N1y N 19.1029 -15.9586
6 C5a C 21.7306 -15.2545
7 N1c N 22.9753 -14.5505
8 C1c C 24.1948 -15.2545
9 C1x C 20.0296 -13.8772
10 C1x C 18.6292 -13.7299
11 C1x C 18.0565 -15.0163
12 C7a C 24.1948 -16.6627
13 O6a O 22.9944 -17.3560
14 O7a O 25.4332 -17.3777
15 C1c C 26.6452 -16.6780
16 C1c C 27.8346 -17.3647
17 C5a C 27.8346 -18.7729
18 N1b N 26.5965 -19.4878
19 C1c C 26.5965 -20.8959
20 C1c C 25.3940 -21.5902
21 C1b C 24.1922 -20.8963
22 C7a C 22.9976 -21.5860
23 O7a O 21.7995 -20.8941
24 C5a C 17.1794 -20.2760
25 C1c C 18.1651 -21.5659
26 C1c C 20.6032 -21.5849
27 C5a C 19.4062 -20.8936
28 O5a O 16.0528 -20.2760
29 O5a O 20.3054 -18.0612
30 C1b C 16.6640 -17.3667
31 C1c C 15.4615 -18.0612
32 C1a C 14.2672 -17.3717
33 C1a C 15.4614 -19.4786
34 O5a O 21.7384 -16.6224
35 O5a O 19.4253 -19.4789
36 C1a C 18.1466 -22.9669
37 C1c C 20.6030 -22.9991
38 O1a O 25.4640 -22.8591
39 C1b C 25.4331 -14.5394
40 C8y C 25.4331 -13.1313
41 C8x C 26.6357 -12.4370
42 C8x C 26.6357 -11.0287
43 C8y C 25.4163 -10.3247
44 C8x C 24.2136 -11.0190
45 C8x C 24.2136 -12.4272
46 O2a O 25.4163 -8.9178
47 C1a C 26.6363 -8.2135
48 C1a C 26.6455 -15.2549
49 N1b N 29.0353 -16.6713
50 C1c C 27.8250 -21.6054
51 C5a C 30.2272 -17.3667
52 C1c C 31.4468 -16.6627
53 N1c N 32.6662 -17.3667
54 C5a C 33.8857 -16.6627
55 C1y C 35.1053 -17.3667
56 C1x C 35.2526 -18.7699
57 C1x C 36.6326 -19.0632
58 C1x C 37.3381 -17.8414
59 N1y N 36.3941 -16.7930
60 C5a C 36.6851 -15.4244
61 C1c C 38.0300 -14.9877
62 O5a O 35.6225 -14.4678
63 C1a C 39.0635 -15.9184
64 O1a O 38.3257 -13.5983
65 O5a O 33.8857 -15.2546
66 C1b C 31.4468 -15.2547
67 C1c C 30.2273 -14.5507
68 C1a C 29.2023 -15.2646
69 C1a C 30.2272 -13.1425
70 O5a O 30.2240 -18.7748
71 C1a C 32.6662 -18.7749
72 O5a O 29.0370 -19.4673
73 C1a C 29.0401 -20.9041
74 C1b C 27.8247 -22.9992
75 C1a C 26.5947 -23.7091
76 O6a O 22.9974 -22.9991
77 C1a C 19.4033 -23.9031
78 C1a C 21.8422 -23.9261
79 C1a C 22.9814 -13.1426
BOND 82
1 1 2 1
2 1 3 1
3 4 5 1
4 3 5 1
5 4 6 1
6 6 7 1
7 7 8 1
8 4 9 1
9 9 10 1
10 10 11 1
11 5 11 1
12 8 12 1
13 12 13 2
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 2 24 1
25 24 25 1
26 23 26 1
27 26 27 1
28 27 25 1
29 24 28 2
30 3 29 2
31 1 30 1 #Up
32 30 31 1
33 31 32 1
34 31 33 1
35 6 34 2
36 27 35 2
37 25 36 1 #Down
38 26 37 1 #Up
39 20 38 1 #Up
40 8 39 1 #Up
41 39 40 1
42 40 41 2
43 41 42 1
44 42 43 2
45 43 44 1
46 44 45 2
47 40 45 1
48 43 46 1
49 46 47 1
50 15 48 1 #Down
51 16 49 1 #Down
52 19 50 1 #Down
53 49 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 55 59 1
63 59 60 1
64 60 61 1
65 60 62 2
66 61 63 1
67 61 64 1 #Up
68 54 65 2
69 52 66 1 #Up
70 66 67 1
71 67 68 1
72 67 69 1
73 51 70 2
74 53 71 1
75 17 72 2
76 50 73 1
77 50 74 1
78 74 75 1
79 22 76 2
80 37 77 1
81 37 78 1
82 7 79 1
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