ATOM 57
1 C8y C 11.8300 -25.4800
2 C5a C 12.9500 -24.8500
3 S2a S 14.1400 -25.5500
4 C1b C 15.3300 -24.8500
5 C1b C 16.5900 -25.5500
6 N1b N 17.7800 -24.8500
7 C5a C 18.9700 -25.5500
8 C1b C 20.2300 -24.8500
9 C1b C 21.4200 -25.5500
10 N1b N 22.6100 -24.8500
11 C5a C 23.8700 -25.5500
12 C1c C 25.0600 -24.8500
13 C1d C 26.2500 -25.5500
14 C1b C 27.4400 -24.8500
15 O2b O 28.7000 -25.5500
16 O5a O 12.9500 -23.4500
17 O5a O 18.9700 -26.9500
18 O5a O 23.8700 -26.9500
19 O1a O 25.0600 -23.4500
20 C1a C 26.2500 -24.1500
21 C1a C 26.2500 -26.9500
22 P1b P 30.1000 -25.5500
23 O1c O 31.5000 -25.5500
24 O1c O 30.1000 -26.9500
25 C1y C 23.5900 -20.5800
26 C1y C 24.9900 -20.5800
27 C1y C 25.4100 -19.2500
28 O2x O 24.2900 -18.4100
29 C1y C 23.1700 -19.2500
30 C1b C 26.7400 -18.8300
31 O1a O 22.7500 -21.7000
32 O2b O 25.8300 -21.7000
33 P1b P 27.2300 -21.7000
34 O1c O 27.2300 -20.3000
35 O1c O 28.6300 -21.7000
36 O1c O 27.2300 -23.1000
37 C8y C 19.0400 -17.4300
38 C8y C 19.0400 -18.8300
39 N4y N 21.4900 -18.8300
40 C8x C 21.4900 -17.4300
41 N5x N 20.2300 -16.7300
42 C8y C 17.8500 -16.7300
43 N5x N 16.5900 -17.4300
44 C8x C 16.5900 -18.8300
45 N5x N 17.8500 -19.5300
46 N1a N 17.8500 -15.3300
47 O2b O 28.7000 -19.2500
48 P1b P 30.1000 -19.2500
49 O1c O 30.1000 -17.8500
50 O1c O 31.5000 -19.2500
51 O2c O 30.1000 -22.4700
52 C8x C 11.8300 -26.7400
53 C8x C 10.7100 -24.7800
54 C8x C 10.7100 -27.3700
55 C8x C 9.5900 -25.4800
56 C8y C 9.5900 -26.7400
57 X Cl 8.4700 -27.3700
BOND 60
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 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 1
55 52 54 2
56 53 55 1
57 54 56 1
58 56 57 1
59 55 56 2
60 53 1 2
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