ATOM 41
1 C1y C 21.6892 -23.8260
2 C1y C 21.6910 -25.1853
3 O2x O 20.5034 -23.1546
4 C1y C 20.5200 -25.8740
5 O1a O 22.8687 -25.8588
6 C1y C 19.3272 -23.8406
7 C1y C 19.3370 -25.1976
8 O1a O 20.5217 -27.2335
9 O1a O 18.1608 -25.8835
10 C1z C 29.9686 -19.0900
11 C1y C 29.9569 -20.4467
12 C1y C 31.1391 -18.4087
13 C1x C 28.7983 -18.3970
14 C1a C 29.9569 -17.7332
15 C1y C 28.7750 -21.1164
16 C1x C 32.3037 -20.4584
17 C1y C 32.3094 -19.1016
18 C1y C 31.1391 -17.0519
19 C1x C 27.6162 -19.0724
20 C1y C 27.6045 -20.4234
21 C1x C 28.7750 -22.4673
22 O2x O 33.4799 -18.4146
23 C1z C 33.4741 -17.0577
24 C1a C 30.1784 -16.0912
25 C1z C 26.4342 -21.0988
26 C1x C 27.5929 -23.1369
27 C1x C 34.6503 -17.7390
28 O2x O 33.4799 -15.7011
29 C1y C 26.4284 -22.4614
30 C1x C 25.2580 -20.4176
31 C1a C 26.4224 -19.7363
32 C1x C 35.8266 -17.0577
33 C1x C 34.6562 -15.0196
34 C1x C 25.2580 -23.1369
35 C1x C 24.0758 -21.0988
36 C1y C 35.8324 -15.7011
37 C1y C 24.0758 -22.4614
38 C1a C 37.0087 -15.0196
39 O2a O 22.8996 -23.1369
40 C1b C 18.1037 -23.1435
41 O1a O 18.1707 -21.7742
BOND 47
1 4 8 1 #Up
2 7 9 1 #Up
3 6 7 1
4 1 2 1
5 1 3 1
6 2 4 1
7 2 5 1 #Down
8 3 6 1
9 4 7 1
10 10 11 1
11 10 12 1
12 10 13 1
13 10 14 1 #Up
14 11 15 1
15 11 16 1
16 12 17 1
17 12 18 1
18 13 19 1
19 15 20 1
20 15 21 1
21 17 22 1
22 18 23 1
23 18 24 1 #Down
24 20 25 1
25 21 26 1
26 23 27 1 #Up
27 23 28 1 #Down
28 25 29 1
29 25 30 1
30 25 31 1 #Up
31 27 32 1
32 28 33 1
33 29 34 1
34 30 35 1
35 32 36 1
36 34 37 1
37 36 38 1
38 37 39 1 #Up
39 16 17 1
40 19 20 1
41 22 23 1
42 26 29 1
43 33 36 1
44 35 37 1
45 1 39 1 #Up
46 6 40 1 #Up
47 40 41 1
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