ATOM 42
1 C1z C 26.0400 -17.5000
2 C1y C 27.2300 -18.1300
3 C1y C 24.9900 -18.0600
4 O2x O 27.1600 -16.8700
5 C1y C 26.0400 -16.2400
6 C1y C 27.4400 -19.4600
7 C1y C 28.2800 -17.4300
8 C1z C 24.5000 -19.2500
9 C2x C 23.9400 -17.2200
10 C1z C 28.2800 -13.0200
11 C1x C 27.1600 -15.5400
12 C1a C 24.8500 -15.6100
13 C1z C 26.6000 -20.3700
14 O2x O 27.7200 -20.3700
15 C1z C 28.2800 -16.1700
16 O2x O 29.6100 -17.5000
17 C1y C 25.2700 -20.3700
18 C5x C 23.2400 -19.2500
19 O1a O 24.1500 -20.5800
20 C2y C 22.8900 -17.9900
21 O2x O 28.2800 -15.1200
22 C1b C 27.2300 -21.5600
23 C2c C 29.4000 -15.4700
24 O1a O 25.2700 -21.6300
25 O5x O 22.4000 -20.2300
26 C1a C 21.6300 -17.5000
27 O1a O 28.5600 -21.5600
28 C1a C 29.4000 -14.2100
29 C2a C 30.5900 -16.1000
30 C2b C 28.2800 -11.6200
31 C2b C 29.4924 -10.9200
32 C2b C 29.4924 -9.5200
33 C2b C 30.6879 -8.8296
34 C1b C 30.6879 -7.4296
35 C1b C 31.8833 -6.7391
36 C1b C 33.0626 -7.4197
37 C1b C 34.2577 -6.7292
38 C1b C 35.4455 -7.4146
39 C1b C 36.6362 -6.7266
40 C1b C 37.8263 -7.4133
41 C1b C 39.0158 -6.7259
42 C1a C 40.2065 -7.4130
BOND 47
1 5 12 1 #Down
2 6 13 1
3 6 14 1
4 7 15 1
5 7 16 1 #Down
6 8 17 1
7 8 18 1
8 8 19 1 #Up
9 9 20 2
10 10 21 1
11 13 22 1 #Up
12 15 23 1 #Up
13 17 24 1 #Up
14 18 25 2
15 20 26 1
16 22 27 1
17 23 28 1
18 23 29 2
19 10 16 1
20 11 15 1
21 13 14 1
22 13 17 1
23 15 21 1 #Down
24 18 20 1
25 1 2 1
26 1 3 1
27 1 4 1 #Down
28 1 5 1
29 2 6 1
30 2 7 1
31 3 8 1
32 3 9 1
33 4 10 1
34 5 11 1
35 10 30 1
36 30 31 2
37 31 32 1
38 32 33 2
39 33 34 1
40 34 35 1
41 35 36 1
42 36 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 40 41 1
47 41 42 1
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