ATOM 42
1 C1y C 25.8300 -16.1000
2 C1y C 26.2500 -17.5000
3 C1y C 27.6500 -17.5000
4 C1y C 28.0700 -16.1700
5 O2x O 27.0200 -15.2600
6 O2b O 25.3400 -18.5500
7 O2a O 28.4200 -18.6200
8 C1b C 29.4000 -15.7500
9 N4y N 24.5000 -15.6100
10 C8x C 24.1500 -14.2800
11 N5x N 22.7500 -14.2800
12 C8y C 22.2600 -15.5400
13 C8y C 23.3800 -16.3800
14 C8y C 21.0000 -16.1000
15 N5x N 20.7900 -17.5000
16 C8x C 21.9100 -18.3400
17 N5x N 23.1700 -17.7800
18 N1a N 19.8800 -15.2600
19 P1b P 25.3400 -19.9500
20 O1c O 23.9400 -19.9500
21 O1c O 26.7400 -19.9500
22 O1c O 25.3400 -21.3500
23 C1y C 29.6100 -19.3200
24 C1y C 29.6100 -20.7200
25 C1y C 30.8700 -21.4200
26 C1y C 32.0600 -20.7200
27 C1y C 32.0600 -19.3200
28 O2x O 30.8700 -18.6200
29 O1a O 28.4200 -21.4200
30 C1b C 33.2500 -18.6200
31 O2b O 33.2500 -21.4200
32 O2b O 30.8700 -22.8200
33 P1b P 34.6500 -21.4200
34 O1c O 36.1200 -21.4200
35 O1c O 34.6500 -20.0200
36 O1c O 34.6500 -22.8200
37 P1b P 32.0600 -23.5900
38 O1c O 33.3200 -24.2900
39 O1c O 31.3600 -24.7800
40 O1c O 32.7600 -22.3300
41 O1a O 30.5726 -16.4154
42 O1a O 34.4681 -19.0301
BOND 45
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Up
7 3 7 1 #Up
8 4 8 1 #Down
9 1 9 1 #Down
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 9 13 1
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 13 17 2
20 14 18 1
21 6 19 1
22 19 20 1
23 19 21 2
24 19 22 1
25 23 7 1 #Up
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
32 24 29 1 #Up
33 27 30 1 #Down
34 26 31 1 #Up
35 25 32 1 #Down
36 31 33 1
37 33 34 1
38 33 35 2
39 33 36 1
40 32 37 1
41 37 38 1
42 37 39 1
43 37 40 2
44 8 41 1
45 30 42 1
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