ATOM 74
1 S2a S 16.8000 -17.9200
2 C1b C 17.9900 -17.2200
3 C1b C 19.2500 -17.9200
4 N1b N 20.4400 -17.2200
5 C5a C 21.6300 -17.9200
6 C1b C 22.8900 -17.2200
7 C1b C 24.0800 -17.9200
8 N1b N 25.2700 -17.2200
9 C5a C 26.5300 -17.9200
10 C1c C 27.7200 -17.2200
11 C1d C 28.9100 -17.9200
12 C1b C 30.1000 -17.2200
13 O2b O 31.3600 -17.9200
14 O5a O 21.6300 -19.3200
15 O5a O 26.5300 -19.3200
16 O1a O 27.7200 -15.8200
17 C1a C 28.9100 -16.5200
18 C1a C 28.9100 -19.3200
19 P1b P 32.7600 -17.9200
20 O1c O 34.1600 -17.9200
21 O1c O 32.7600 -19.3200
22 C1y C 26.2500 -12.9500
23 C1y C 27.6500 -12.9500
24 C1y C 28.0700 -11.6200
25 O2x O 26.9500 -10.7800
26 C1y C 25.8300 -11.6200
27 C1b C 29.4000 -11.2000
28 O1a O 25.4100 -14.0700
29 O2b O 28.4900 -14.0700
30 P1b P 29.8900 -14.0700
31 O1c O 29.8900 -12.6700
32 O1c O 31.2900 -14.0700
33 O1c O 29.8900 -15.4700
34 C8y C 21.7000 -9.8000
35 C8y C 21.7000 -11.2000
36 N4y N 24.1500 -11.2000
37 C8x C 24.1500 -9.8000
38 N5x N 22.8900 -9.1000
39 C8y C 20.5100 -9.1000
40 N5x N 19.2500 -9.8000
41 C8x C 19.2500 -11.2000
42 N5x N 20.5100 -11.9000
43 N1a N 20.5100 -7.7000
44 O2b O 31.3600 -11.6200
45 P1b P 32.7600 -11.6200
46 O1c O 32.7600 -10.2200
47 O1c O 34.1600 -11.6200
48 O2c O 32.7600 -14.8400
49 C1y C 9.2400 -21.9100
50 C1y C 10.4300 -21.2800
51 C1y C 8.0500 -21.2100
52 C1x C 9.2400 -23.3100
53 C1z C 10.4300 -19.8100
54 C1x C 12.7400 -21.2800
55 C1z C 6.7900 -21.9100
56 C1x C 8.0500 -19.8100
57 C1x C 8.0500 -24.0100
58 C1y C 11.6200 -19.1800
59 C1x C 9.2400 -19.1100
60 C1a C 10.4300 -18.6900
61 C1x C 12.7400 -19.8800
62 C1y C 6.7900 -23.2400
63 C1x C 5.6000 -21.2100
64 C1a C 6.7900 -20.5100
65 C1c C 11.6200 -17.7800
66 C1x C 5.6000 -23.9400
67 C1x C 4.4100 -21.9100
68 C1b C 12.8100 -17.0800
69 C1a C 10.5000 -16.7300
70 C1y C 4.4100 -23.2400
71 C1b C 14.0000 -17.7800
72 O1a O 3.1500 -23.9400
73 C5a C 15.1900 -17.1500
74 O5a O 15.1900 -15.7500
BOND 80
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 12 13 1
13 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 49 50 1
52 49 51 1
53 49 52 1
54 50 53 1
55 50 54 1
56 51 55 1
57 51 56 1
58 52 57 1
59 53 58 1
60 53 59 1
61 53 60 1 #Up
62 54 61 1
63 55 62 1
64 55 63 1
65 55 64 1 #Up
66 58 65 1
67 62 66 1
68 63 67 1
69 65 68 1
70 65 69 1 #Down
71 66 70 1
72 68 71 1
73 70 72 1 #Down
74 71 73 1
75 73 74 2
76 56 59 1
77 57 62 1
78 58 61 1
79 67 70 1
80 1 73 1
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