ATOM 38
1 C1z C 22.8200 -16.9400
2 C1y C 23.9400 -17.5000
3 C1y C 21.7700 -17.5000
4 O2x O 23.6600 -16.1000
5 C1y C 22.8200 -15.6100
6 C1y C 25.0600 -16.8000
7 C1y C 24.2200 -18.7600
8 C1z C 21.2800 -18.6900
9 C2x C 20.7200 -16.7300
10 C1z C 24.9200 -12.4600
11 C1x C 23.8000 -14.9100
12 C1a C 21.5600 -14.9800
13 C1z C 25.0600 -15.4700
14 O2x O 26.3900 -17.1500
15 C1z C 23.4500 -19.7400
16 C1y C 22.1200 -19.7400
17 C5x C 20.0200 -18.6900
18 O1a O 20.7900 -20.2300
19 C2y C 19.6700 -17.4300
20 O2x O 24.9200 -14.4200
21 C1b C 24.9200 -11.5500
22 C2c C 26.2500 -14.7700
23 O5x O 19.2500 -19.7400
24 C1a C 18.4100 -17.0100
25 C1a C 26.2500 -13.5100
26 C2a C 27.2300 -15.4700
27 C1b C 23.4500 -21.1400
28 O2x O 24.6400 -19.7400
29 O1a O 24.6624 -21.8400
30 O1a O 21.5135 -21.0018
31 C1b C 26.1324 -10.8500
32 C1b C 27.3279 -11.5404
33 C1b C 28.5153 -10.8549
34 C1b C 29.7065 -11.5429
35 C1b C 30.8960 -10.8562
36 C1b C 32.0861 -11.5435
37 C1b C 33.2762 -10.8565
38 C1a C 34.4660 -11.5437
BOND 43
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1 #Down
12 6 13 1
13 6 14 1 #Down
14 7 15 1
15 8 16 1
16 8 17 1
17 8 18 1 #Up
18 9 19 2
19 10 20 1
20 10 21 1
21 13 22 1 #Up
22 17 23 2
23 19 24 1
24 22 25 1
25 22 26 2
26 10 14 1
27 11 13 1
28 13 20 1 #Down
29 15 16 1
30 17 19 1
31 15 27 1 #Up
32 15 28 1
33 7 28 1
34 27 29 1
35 16 30 1 #Up
36 21 31 1
37 31 32 1
38 32 33 1
39 33 34 1
40 34 35 1
41 35 36 1
42 36 37 1
43 37 38 1
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