ATOM 75
1 C1x C 5.1100 -22.1200
2 C5x C 5.1100 -23.3800
3 C1x C 6.1600 -24.0100
4 C1y C 7.2800 -23.3800
5 C1z C 7.2800 -22.1200
6 C1x C 6.1600 -21.4200
7 C1x C 8.3300 -24.0100
8 C1y C 9.4500 -23.3800
9 C1y C 9.4500 -22.1200
10 C1y C 8.3300 -21.4200
11 C1y C 10.5700 -21.4200
12 C1z C 10.5700 -20.1600
13 C1x C 9.4500 -19.6000
14 C1x C 8.3300 -20.1600
15 O5x O 3.9900 -24.0100
16 C1a C 7.2800 -20.5100
17 C1a C 10.5700 -18.9000
18 C1x C 13.0200 -21.4200
19 C1x C 13.0200 -20.1600
20 C1y C 11.7600 -19.4600
21 C1b C 13.0200 -17.0800
22 C1c C 11.7600 -17.7800
23 C1a C 10.5700 -17.0800
24 C1b C 14.2100 -17.7800
25 O5a O 15.2600 -15.9600
26 C5a C 15.2600 -17.1500
27 S2a S 16.4500 -17.8500
28 O1a O 10.6400 -24.0800
29 C1b C 17.7100 -17.4300
30 C1b C 18.9000 -18.1300
31 N1b N 20.0200 -17.4300
32 C5a C 21.1400 -18.1300
33 C1b C 22.4000 -17.4300
34 C1b C 23.5200 -18.1300
35 N1b N 24.6400 -17.4300
36 C5a C 25.9000 -18.1300
37 C1c C 27.0200 -17.4300
38 C1d C 28.1400 -18.1300
39 C1b C 29.3300 -17.4300
40 O2b O 30.5900 -18.1300
41 O5a O 21.1400 -19.3900
42 O5a O 25.9000 -19.3900
43 O1a O 27.0200 -16.1000
44 C1a C 28.1400 -16.7300
45 C1a C 28.1400 -19.3900
46 P1b P 31.9200 -18.1300
47 O1c O 33.2500 -18.1300
48 O1c O 31.9200 -19.3900
49 C1y C 25.6200 -13.3000
50 C1y C 26.9500 -13.3000
51 C1y C 27.3700 -12.0400
52 O2x O 26.2500 -11.2000
53 C1y C 25.2000 -12.0400
54 C1b C 28.6300 -11.6200
55 O1a O 24.7800 -14.4200
56 O2b O 27.7900 -14.4200
57 P1b P 29.1200 -14.4200
58 O1c O 29.1200 -13.0200
59 O1c O 30.5200 -14.4200
60 O1c O 29.1200 -15.7500
61 C8y C 21.2100 -10.2900
62 C8y C 21.2100 -11.6200
63 N4y N 23.5900 -11.6200
64 C8x C 23.5900 -10.2900
65 N5x N 22.4000 -9.5900
66 C8y C 20.0900 -9.5900
67 N5x N 18.9000 -10.2900
68 C8x C 18.9000 -11.6200
69 N5x N 20.0900 -12.3200
70 N1a N 20.0900 -8.2600
71 O2b O 30.5900 -12.0400
72 P1b P 31.9200 -12.0400
73 O1c O 31.9200 -10.7100
74 O1c O 33.2500 -12.0400
75 O2c O 31.9200 -15.1200
BOND 81
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 2
18 5 16 1 #Up
19 12 17 1 #Up
20 18 19 1
21 19 20 1
22 12 20 1
23 11 18 1
24 21 22 1
25 20 22 1
26 22 23 1 #Down
27 21 24 1
28 25 26 2
29 24 26 1
30 26 27 1
31 8 28 1 #Down
32 29 27 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 32 41 2
45 36 42 2
46 37 43 1 #Down
47 38 44 1
48 38 45 1
49 40 46 1
50 46 47 2
51 46 48 1
52 49 50 1
53 50 51 1
54 51 52 1
55 52 53 1
56 49 53 1
57 51 54 1 #Down
58 49 55 1 #Up
59 50 56 1 #Up
60 56 57 1
61 57 58 1
62 57 59 1
63 57 60 2
64 61 62 2
65 62 63 1
66 53 63 1 #Down
67 63 64 1
68 64 65 2
69 61 65 1
70 61 66 1
71 66 67 2
72 67 68 1
73 68 69 2
74 62 69 1
75 66 70 1
76 54 71 1
77 71 72 1
78 72 73 1
79 72 74 2
80 72 75 1
81 46 75 1
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