ATOM 85
1 C1y C 14.4900 -18.5500
2 C1y C 15.8900 -18.5500
3 C1y C 16.3100 -17.2200
4 C1y C 15.1900 -16.3800
5 O2x O 14.0700 -17.2200
6 O2b O 16.8700 -19.5300
7 C1b C 13.3000 -19.2500
8 R R 14.4900 -15.1900
9 C1y C 23.8000 -18.8300
10 C1y C 25.2000 -18.8300
11 C1y C 25.6200 -17.5000
12 C1y C 24.5000 -16.6600
13 O2x O 23.3800 -17.5000
14 O2b O 25.9700 -19.6700
15 C1b C 22.6100 -19.5300
16 O2b O 21.2100 -19.5300
17 P1b P 19.8100 -19.5300
18 O1c O 19.8100 -20.9300
19 O1c O 19.8100 -18.1300
20 C1y C 32.4800 -18.9700
21 C1y C 33.8800 -18.9700
22 C1y C 34.3000 -17.6400
23 C1y C 33.1800 -16.8000
24 O2x O 32.0600 -17.6400
25 O2b O 34.8600 -19.9500
26 C1b C 31.2900 -19.6700
27 N4y N 32.4800 -15.6100
28 O2b O 29.8900 -19.6700
29 P1b P 28.4900 -19.6700
30 O1c O 28.4900 -21.0700
31 O1c O 28.4900 -18.2700
32 O1a O 17.2900 -16.2400
33 O1a O 26.3900 -16.3800
34 O1a O 35.2800 -16.6600
35 R R 23.8000 -15.4700
36 C8y C 33.1800 -14.4200
37 N5x N 32.4800 -13.1600
38 C8y C 31.0800 -13.1600
39 C8x C 30.3800 -14.4200
40 C8x C 31.0800 -15.6100
41 O5x O 34.5800 -14.4200
42 N1a N 30.3800 -11.9700
43 O1a O 13.3000 -20.6500
44 P1b P 36.8900 -19.9500
45 C1y C 40.8800 -19.2500
46 C1y C 42.2800 -19.2500
47 C1y C 42.7000 -17.9200
48 C1y C 41.5800 -17.0800
49 O2x O 40.4600 -17.9200
50 O2b O 43.2600 -20.2300
51 C1b C 39.6900 -19.9500
52 N4y N 40.8800 -15.8900
53 O2b O 38.2900 -19.9500
54 O1c O 36.8900 -21.3500
55 O1c O 36.8900 -18.5500
56 O1a O 43.6800 -16.9400
57 C8y C 41.5800 -14.7000
58 N5x N 40.8800 -13.4400
59 C8y C 39.4800 -13.4400
60 C8x C 38.7800 -14.7000
61 C8x C 39.4800 -15.8900
62 O5x O 42.9800 -14.7000
63 N1a N 38.7800 -12.2500
64 P1b P 45.3600 -20.2300
65 C1y C 49.3500 -19.5300
66 C1y C 50.7500 -19.5300
67 C1y C 51.1700 -18.2000
68 C1y C 50.0500 -17.3600
69 O2x O 48.9300 -18.2000
70 O1a O 51.7300 -20.5100
71 C1b C 48.1600 -20.2300
72 N4y N 49.3500 -16.1700
73 O2b O 46.7600 -20.2300
74 O1c O 45.3600 -21.6300
75 O1c O 45.3600 -18.8300
76 O1a O 52.1500 -17.2200
77 C8x C 50.0500 -14.9576
78 N5x N 49.1132 -13.9172
79 C8y C 47.9742 -14.4866
80 C8y C 47.9806 -15.8789
81 C8y C 46.7586 -13.7921
82 N5x N 45.5494 -14.4976
83 C8x C 45.5557 -15.8900
84 N5x N 46.7714 -16.5844
85 N1a N 46.7522 -12.3900
BOND 93
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Down
7 1 7 1 #Up
8 4 8 1 #Up
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 9 13 1
14 10 14 1 #Down
15 9 15 1 #Up
16 15 16 1
17 16 17 1
18 17 18 2
19 17 19 1
20 17 6 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 20 24 1
26 21 25 1 #Down
27 20 26 1 #Up
28 23 27 1 #Up
29 26 28 1
30 28 29 1
31 29 30 2
32 29 31 1
33 29 14 1
34 3 32 1 #Down
35 11 33 1 #Down
36 22 34 1 #Down
37 12 35 1 #Up
38 27 36 1
39 36 37 1
40 37 38 2
41 38 39 1
42 39 40 2
43 27 40 1
44 36 41 2
45 38 42 1
46 7 43 1
47 25 44 1
48 45 46 1
49 46 47 1
50 47 48 1
51 48 49 1
52 45 49 1
53 46 50 1 #Down
54 45 51 1 #Up
55 48 52 1 #Up
56 51 53 1
57 53 44 1
58 44 54 2
59 44 55 1
60 47 56 1 #Down
61 52 57 1
62 57 58 1
63 58 59 2
64 59 60 1
65 60 61 2
66 52 61 1
67 57 62 2
68 59 63 1
69 65 66 1
70 66 67 1
71 67 68 1
72 68 69 1
73 65 69 1
74 66 70 1 #Down
75 65 71 1 #Up
76 68 72 1 #Up
77 71 73 1
78 73 64 1
79 64 74 2
80 64 75 1
81 67 76 1 #Down
82 64 50 1
83 72 77 1
84 77 78 2
85 78 79 1
86 79 80 1
87 72 80 1
88 79 81 2
89 81 82 1
90 82 83 2
91 83 84 1
92 80 84 2
93 81 85 1
BRACKET 1 19.1800 -22.3300 19.1800 -15.0500
1 27.3000 -14.9800 27.3000 -22.3300
1 n
ORIGINAL 1 9 10 11 12 13 14 15 16 17 18 19 33 35
REPEAT 1
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