ATOM 44
1 C2y C 28.2311 -23.0433
2 C1z C 27.7363 -24.3546
3 C1y C 27.6432 -21.7741
4 C2y C 29.6299 -23.0373
5 C2x C 26.4599 -24.9379
6 C1x C 28.8263 -25.2349
7 C1a C 27.3636 -25.6249
8 O2a O 28.3360 -20.5558
9 C1y C 26.3319 -21.2778
10 C1x C 29.9966 -24.4651
11 C1c C 30.5101 -22.0243
12 C2y C 25.1429 -24.4361
13 C1y C 28.3243 -19.1458
14 C1y C 25.0556 -21.8614
15 O1a O 26.2853 -20.0135
16 C1a C 31.8972 -22.2397
17 C1a C 30.0025 -20.7189
18 C1y C 24.5666 -23.1726
19 C1z C 24.1170 -25.3805
20 O2x O 29.5426 -18.4341
21 C1y C 27.1004 -18.4516
22 C1a C 24.0297 -20.9052
23 C1x C 23.1796 -23.3357
24 C1x C 22.8989 -24.6992
25 C1b C 24.2801 -26.7731
26 O1a O 23.4126 -26.5926
27 C1y C 29.5367 -17.0298
28 C1y C 27.0946 -17.0414
29 O1a O 25.8825 -18.9474
30 O2a O 25.4865 -27.4615
31 C1y C 28.3127 -16.3311
32 C1b C 30.7547 -16.3194
33 O1a O 25.8708 -16.3427
34 C1a C 26.6987 -26.7615
35 O2a O 28.3010 -14.9268
36 O2a O 31.9612 -17.0065
37 C1d C 29.5134 -14.2151
38 C1a C 33.1735 -16.3019
39 C1y C 30.7314 -14.9092
40 C1b C 28.8030 -12.9980
41 C1a C 30.0144 -12.6464
42 C1x C 31.9612 -15.6079
43 O2x O 31.9495 -14.2093
44 O1a O 29.1583 -11.6402
BOND 48
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 2
12 13 8 1 #Down
13 9 14 1
14 9 15 1 #Up
15 11 16 1
16 11 17 1
17 12 18 1
18 12 19 1
19 13 20 1
20 13 21 1
21 14 22 1 #Up
22 18 23 1
23 19 24 1
24 19 25 1 #Up
25 19 26 1 #Down
26 20 27 1
27 21 28 1
28 21 29 1 #Down
29 25 30 1
30 27 31 1
31 27 32 1 #Up
32 28 33 1 #Up
33 30 34 1
34 31 35 1 #Down
35 32 36 1
36 35 37 1
37 36 38 1
38 37 39 1
39 37 40 1 #Down
40 37 41 1 #Up
41 39 42 1
42 39 43 1 #Up
43 40 44 1
44 6 10 1
45 14 18 1
46 23 24 1
47 28 31 1
48 42 43 1
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