ATOM 90
1 C1a C 5.6000 -18.6200
2 C1b C 6.7900 -17.9200
3 C1c C 8.0500 -18.6200
4 C1c C 9.2400 -17.9200
5 C5a C 10.4300 -18.6200
6 N1b N 11.6900 -17.9200
7 C1c C 12.8800 -18.6200
8 C5a C 14.0700 -17.9200
9 N1b N 15.3300 -18.6200
10 C1c C 16.5200 -17.9200
11 C5a C 17.7100 -18.6200
12 N1y N 18.9700 -17.9200
13 C1a C 8.0500 -20.0200
14 N1a N 9.2400 -16.5200
15 O5a O 10.4300 -20.0200
16 C1b C 12.8800 -20.0200
17 O1a O 11.6900 -20.7200
18 O5a O 14.0700 -16.5200
19 C1b C 16.5200 -16.5200
20 C1b C 15.3300 -15.8200
21 C1b C 15.3300 -14.4200
22 N2b N 14.1400 -13.7200
23 C2c C 14.1400 -12.3200
24 N1a N 12.8800 -11.6200
25 N1a N 15.3300 -11.6200
26 O5a O 17.7100 -20.0200
27 C1y C 20.3700 -17.9200
28 C1x C 20.7900 -16.5900
29 C1x C 19.6700 -15.7500
30 C1x C 18.5500 -16.5900
31 C5a C 21.5600 -18.6200
32 N1y N 22.8200 -17.9200
33 O5a O 21.5600 -20.0200
34 C1y C 24.2200 -17.9200
35 C1x C 24.6400 -16.5900
36 C1x C 23.5200 -15.7500
37 C1x C 22.4000 -16.5900
38 C5a C 25.4100 -18.6200
39 N1b N 26.6700 -17.9200
40 C1b C 27.8600 -18.6200
41 C5a C 29.0500 -17.9200
42 N1b N 30.3100 -18.6200
43 C1c C 31.5000 -17.9200
44 C5a C 32.6900 -18.6200
45 N1b N 33.9500 -17.9200
46 C1c C 35.1400 -18.6200
47 C5a C 36.3300 -17.9200
48 N1y N 37.5900 -18.6200
49 O5a O 25.4100 -20.0200
50 O5a O 29.0500 -16.5200
51 C1b C 31.5000 -16.5200
52 C8y C 32.6900 -15.8200
53 C8x C 33.8800 -16.5200
54 C8x C 35.1400 -15.8200
55 C8x C 35.1400 -14.4200
56 C8x C 33.9500 -13.7200
57 C8x C 32.6900 -14.4200
58 O5a O 32.6900 -20.0200
59 C1b C 35.1400 -20.0200
60 O1a O 36.3300 -20.7200
61 O5a O 36.3300 -16.5200
62 C1y C 38.9900 -18.6200
63 C1x C 37.1700 -19.9500
64 C1x C 38.2900 -20.7900
65 C1x C 39.4100 -19.9500
66 C5a C 40.2024 -17.9200
67 N1b N 41.4149 -18.6200
68 C1c C 42.6273 -17.9200
69 C5a C 43.8397 -18.6200
70 N1b N 45.0522 -17.9200
71 C1c C 46.2646 -18.6200
72 C1b C 47.4770 -17.9200
73 C1b C 48.6895 -18.6200
74 C1b C 49.9019 -17.9200
75 O5a O 40.2024 -16.5202
76 C1b C 42.6273 -16.5200
77 C8y C 43.8418 -15.8188
78 C8x C 45.0383 -16.5098
79 C8x C 46.2508 -15.8099
80 C8x C 46.2509 -14.4099
81 C8x C 45.0544 -13.7190
82 C8x C 43.8419 -14.4188
83 O5a O 43.8397 -20.0199
84 C6a C 46.2646 -20.0200
85 O6a O 47.4811 -20.7223
86 O6a O 45.0562 -20.7177
87 N2b N 51.1224 -18.6200
88 C2c C 52.3349 -17.9200
89 N1a N 53.5473 -18.6200
90 N1a N 52.3349 -16.5202
BOND 94
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 3 13 1 #Up
13 4 14 1 #Down
14 5 15 2
15 7 16 1 #Down
16 16 17 1
17 8 18 2
18 10 19 1 #Up
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 2
23 23 24 1
24 23 25 1
25 11 26 2
26 12 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 12 30 1
31 27 31 1
32 31 32 1
33 31 33 2
34 32 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 32 37 1
39 34 38 1
40 38 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 46 47 1
49 47 48 1
50 38 49 2
51 41 50 2
52 43 51 1 #Up
53 51 52 1
54 52 53 2
55 53 54 1
56 54 55 2
57 55 56 1
58 56 57 2
59 52 57 1
60 44 58 2
61 46 59 1 #Down
62 59 60 1
63 47 61 2
64 62 48 1
65 48 63 1
66 63 64 1
67 64 65 1
68 62 65 1
69 62 66 1
70 66 67 1
71 67 68 1
72 68 69 1
73 69 70 1
74 70 71 1
75 71 72 1
76 72 73 1
77 73 74 1
78 66 75 2
79 68 76 1 #Up
80 76 77 1
81 77 78 2
82 78 79 1
83 79 80 2
84 80 81 1
85 81 82 2
86 77 82 1
87 69 83 2
88 71 84 1 #Up
89 84 85 1
90 84 86 2
91 74 87 1
92 87 88 2
93 88 89 1
94 88 90 1
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