ATOM 80
1 C1b C 10.2200 -14.6300
2 C1c C 11.4100 -15.3300
3 C5a C 12.6000 -14.6300
4 O7a O 11.4100 -16.7300
5 N1c N 13.7900 -15.3300
6 O5a O 12.6000 -13.2300
7 C1c C 14.9800 -14.6300
8 C1a C 13.7900 -16.7300
9 C7a C 16.1700 -15.3300
10 C1b C 14.9800 -13.2300
11 C1c C 16.1700 -12.5300
12 O6a O 17.3600 -14.6300
13 O7a O 16.1700 -16.7300
14 C1c C 17.3600 -17.4300
15 C7a C 10.2200 -17.4300
16 C8y C 10.2200 -13.2300
17 C8x C 11.4100 -12.5300
18 C8x C 11.4100 -11.1300
19 C8y C 10.2200 -10.4300
20 C8x C 9.0300 -11.1300
21 C8x C 9.0300 -12.5300
22 N1y N 10.2200 -9.0300
23 C1x C 11.4100 -8.3300
24 C1x C 11.4100 -6.9300
25 O2x O 10.2200 -6.2300
26 C1x C 9.0300 -6.9300
27 C1x C 9.0300 -8.3300
28 O6a O 9.0300 -16.7300
29 C1c C 10.2200 -18.8300
30 N1c N 11.4100 -19.5300
31 C1b C 9.0300 -19.5300
32 C1a C 12.6000 -18.8300
33 C5a C 11.4100 -20.9300
34 C1c C 10.2200 -21.6300
35 O7a O 10.2200 -23.5900
36 C1c C 7.8400 -18.8300
37 C1a C 6.6500 -19.5300
38 C1a C 7.8400 -17.4300
39 C1a C 17.3600 -13.2300
40 C1a C 16.1700 -11.1300
41 C1a C 9.0300 -20.9300
42 C7a C 11.4100 -24.2900
43 C1c C 12.6700 -23.5900
44 O6a O 11.4100 -25.6900
45 N1c N 13.8600 -24.3600
46 C5a C 15.0500 -23.6600
47 C1a C 13.8600 -25.7600
48 C1c C 16.2400 -24.3600
49 O5a O 12.4600 -21.4900
50 C1c C 13.7200 -20.5800
51 C1a C 14.9100 -21.2800
52 C1b C 12.6700 -22.1900
53 C1a C 13.7200 -19.1800
54 O5a O 15.0500 -22.2600
55 O7a O 17.4581 -23.6699
56 C1b C 16.2286 -25.7600
57 C8y C 17.4438 -26.4748
58 C8x C 17.4324 -27.8600
59 C8x C 18.6390 -28.5700
60 C8y C 19.8572 -27.8800
61 C8x C 19.8686 -26.4948
62 C8x C 18.6619 -25.7848
63 N1y N 21.0717 -28.5948
64 C1x C 21.0602 -29.9600
65 C1x C 22.2667 -30.6701
66 O2x O 23.5550 -29.9804
67 C1x C 23.4964 -28.6152
68 C1x C 22.2899 -27.9050
69 C7a C 17.4581 -22.2699
70 C1c C 18.6534 -21.5794
71 O6a O 16.2203 -21.5553
72 C5a C 17.3600 -18.8300
73 O5a O 16.1476 -19.5300
74 N1c N 18.6424 -19.5300
75 C1a C 18.5753 -16.7349
76 C1b C 19.8343 -22.2568
77 C1c C 21.0251 -21.5646
78 C1a C 22.2186 -22.2492
79 C1a C 21.0212 -20.1602
80 C1a C 19.8278 -18.8221
BOND 84
1 2 1 1 #Down
2 2 3 1
3 2 4 1
4 3 5 1
5 3 6 2
6 5 7 1
7 5 8 1
8 7 9 1
9 7 10 1 #Up
10 10 11 1
11 9 12 2
12 9 13 1
13 13 14 1
14 4 15 1
15 1 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 19 20 1
20 20 21 2
21 16 21 1
22 19 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 22 27 1
29 15 28 2
30 15 29 1
31 29 30 1
32 29 31 1 #Up
33 30 32 1
34 30 33 1
35 33 34 1
36 34 35 1
37 31 36 1
38 36 37 1
39 36 38 1
40 11 39 1
41 11 40 1
42 34 41 1 #Down
43 35 42 1
44 42 43 1
45 42 44 2
46 43 45 1
47 45 46 1
48 45 47 1
49 46 48 1
50 33 49 2
51 50 51 1
52 50 52 1
53 50 53 1
54 43 52 1 #Down
55 46 54 2
56 48 55 1
57 48 56 1 #Down
58 56 57 1
59 57 58 2
60 58 59 1
61 59 60 2
62 60 61 1
63 61 62 2
64 57 62 1
65 60 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 67 68 1
71 63 68 1
72 55 69 1
73 69 70 1
74 69 71 2
75 14 72 1
76 72 73 2
77 72 74 1
78 14 75 1 #Down
79 70 74 1
80 70 76 1 #Up
81 76 77 1
82 77 78 1
83 77 79 1
84 74 80 1
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