ATOM 88
1 C5a C 12.8100 -20.5100
2 N1b N 14.0000 -21.2100
3 C1y C 11.6200 -21.2100
4 O5a O 12.8100 -19.1100
5 N1x N 10.5000 -20.4400
6 C5x C 9.3800 -21.2100
7 C1x C 9.8000 -22.5400
8 C1x C 11.2000 -22.5400
9 O5x O 8.1900 -20.5100
10 C1c C 15.2181 -20.5199
11 C5a C 16.3995 -21.2150
12 C1b C 15.1598 -19.1106
13 N1b N 17.6049 -20.5320
14 O5a O 16.3881 -22.6100
15 C1c C 18.7761 -21.2209
16 C1b C 16.3639 -18.3472
17 C6a C 16.3756 -16.9420
18 O6a O 17.5980 -16.2497
19 O6a O 15.1714 -16.2333
20 C5a C 19.9865 -20.5350
21 N1b N 21.2066 -21.2530
22 C1b C 18.7648 -22.6100
23 C1b C 19.9679 -23.3178
24 C5a C 19.9565 -24.7100
25 N1a N 21.1584 -25.4170
26 O5a O 18.7335 -25.4029
27 O5a O 19.9976 -19.1102
28 C1c C 22.4157 -20.5685
29 C5a C 23.6154 -21.2748
30 C1b C 22.4274 -19.1803
31 C1c C 23.6249 -18.5020
32 C1a C 24.7960 -19.1910
33 C1a C 23.5671 -17.0808
34 N1b N 24.8122 -20.5972
35 O5a O 23.6036 -22.6799
36 C1c C 25.9872 -21.2890
37 C5a C 27.1962 -20.6044
38 C1b C 25.9754 -22.6800
39 N1b N 28.4165 -21.3231
40 O5a O 27.2078 -19.1802
41 C1b C 27.1778 -23.3879
42 C6a C 27.1660 -24.7800
43 O6a O 28.3680 -25.4877
44 O6a O 25.9431 -25.4722
45 C1c C 29.6260 -20.6390
46 C5a C 30.8250 -21.3455
47 C1b C 29.6382 -19.2503
48 N1b N 32.0227 -20.6680
49 O5a O 30.8127 -22.7499
50 C1b C 30.8353 -18.5728
51 C1b C 30.8472 -17.1502
52 N1b N 32.0827 -16.4504
53 C2c C 33.2722 -17.1505
54 N1a N 34.4737 -16.4699
55 N2a N 33.2605 -18.5500
56 C1c C 33.1968 -21.3597
57 C5a C 34.4067 -20.6752
58 C1a C 33.1844 -22.7500
59 N1b N 35.6260 -21.3940
60 O5a O 34.4187 -19.2502
61 C1c C 36.8365 -20.7098
62 C5a C 38.0345 -21.4163
63 C1b C 36.8492 -19.3203
64 N1b N 39.2331 -20.7389
65 O5a O 38.0217 -22.8200
66 C1c C 38.0458 -18.6436
67 C1a C 39.2663 -19.3634
68 C1a C 38.0581 -17.2202
69 C1c C 40.4063 -21.4306
70 C5a C 41.6171 -20.7461
71 C1b C 40.3935 -22.8200
72 C5a C 41.5968 -23.5296
73 N1a N 42.8069 -22.8456
74 O5a O 41.5840 -24.9200
75 N1b N 42.8355 -21.4648
76 O5a O 41.6296 -19.3201
77 C1c C 44.0469 -20.7805
78 C5a C 45.2441 -21.4871
79 C1b C 44.0600 -19.3903
80 O1a O 45.2562 -18.7144
81 N1b N 46.4435 -20.8096
82 O5a O 45.2308 -22.8900
83 C1c C 47.6158 -21.5013
84 C6a C 48.8275 -20.8168
85 C1b C 47.6026 -22.8900
86 O1a O 46.3816 -23.5796
87 O6a O 50.0450 -21.5355
88 O6a O 48.8405 -19.3901
BOND 88
1 1 2 1
2 3 1 1 #Down
3 1 4 2
4 3 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 3 8 1
9 9 6 2
10 2 10 1
11 10 11 1 #Up
12 10 12 1
13 11 13 1
14 11 14 2
15 15 13 1 #Down
16 12 16 1
17 16 17 1
18 17 18 1
19 17 19 2
20 15 20 1
21 20 21 1
22 15 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 24 26 2
27 20 27 2
28 21 28 1
29 28 29 1 #Up
30 28 30 1
31 30 31 1
32 31 32 1
33 31 33 1
34 29 34 1
35 29 35 2
36 34 36 1
37 36 37 1 #Down
38 36 38 1
39 37 39 1
40 37 40 2
41 38 41 1
42 41 42 1
43 42 43 1
44 42 44 2
45 39 45 1
46 45 46 1 #Up
47 45 47 1
48 46 48 1
49 46 49 2
50 47 50 1
51 50 51 1
52 51 52 1
53 52 53 1
54 53 54 1
55 53 55 2
56 48 56 1
57 56 57 1
58 56 58 1 #Down
59 57 59 1
60 57 60 2
61 59 61 1
62 61 62 1 #Up
63 61 63 1
64 62 64 1
65 62 65 2
66 63 66 1
67 66 67 1
68 66 68 1
69 69 64 1 #Down
70 69 70 1
71 69 71 1
72 71 72 1
73 72 73 1
74 72 74 2
75 70 75 1
76 70 76 2
77 75 77 1
78 77 78 1
79 77 79 1 #Up
80 79 80 1
81 78 81 1
82 78 82 2
83 81 83 1
84 83 84 1
85 83 85 1 #Down
86 85 86 1
87 84 87 1
88 84 88 2
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