ATOM 50
1 C2y C 26.1320 -18.1806
2 C1z C 27.3443 -17.4707
3 C1y C 24.9195 -17.4839
4 C2x C 26.1118 -19.5068
5 C1z C 27.3511 -16.0707
6 C1x C 29.7325 -17.4839
7 O1a O 27.3443 -18.8370
8 C1z C 23.7206 -18.1872
9 C1x C 24.9061 -16.0841
10 C5x C 24.9329 -20.2704
11 C1y C 28.5700 -15.3673
12 C1x C 26.1252 -15.3739
13 C1a C 27.3741 -14.5978
14 C1x C 29.7825 -16.0773
15 C1y C 23.7206 -19.5738
16 C1x C 22.5215 -17.5041
17 C1a C 23.7200 -16.8209
18 O5x O 24.9061 -21.5565
19 C1c C 28.5700 -14.0008
20 C1x C 22.5215 -20.2771
21 C1y C 21.3294 -18.1872
22 C1c C 29.7623 -13.3176
23 C1a C 27.3911 -13.3110
24 C1y C 21.3294 -19.5738
25 O1a O 20.1437 -17.5041
26 C1b C 30.9480 -14.0076
27 O1a O 29.7691 -11.9445
28 O7a O 20.1437 -20.2569
29 C1b C 32.1335 -13.3244
30 C7a C 18.9582 -19.5672
31 C1d C 33.3192 -14.0142
32 C1b C 17.7725 -20.2503
33 O6a O 18.9582 -18.2006
34 C1a C 34.5047 -13.3310
35 C1a C 33.3124 -15.3873
36 O1a O 34.4913 -14.6976
37 C1b C 16.5870 -19.5672
38 C1b C 15.4013 -20.2503
39 C1b C 14.2158 -19.5672
40 C1b C 13.0302 -20.2503
41 C1b C 11.8447 -19.5672
42 C1b C 10.6590 -20.2435
43 C1b C 10.6792 -21.6435
44 C1b C 11.8111 -22.3201
45 C1b C 13.0101 -21.6637
46 C1b C 14.2024 -22.3335
47 C1b C 15.3813 -21.6369
48 C1b C 16.5736 -22.3135
49 C1b C 17.7525 -21.6167
50 C1a C 18.9448 -22.2866
BOND 53
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 5 13 1 #Up
13 6 14 1
14 8 15 1
15 8 16 1
16 8 17 1 #Up
17 10 18 2
18 11 19 1 #Up
19 15 20 1
20 16 21 1
21 19 22 1
22 19 23 1 #Down
23 20 24 1
24 21 25 1 #Up
25 22 26 1
26 22 27 1 #Down
27 24 28 1 #Up
28 26 29 1
29 28 30 1
30 29 31 1
31 30 32 1
32 30 33 2
33 31 34 1
34 31 35 1
35 31 36 1
36 32 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 46 47 1
47 47 48 1
48 48 49 1
49 49 50 1
50 9 12 1
51 10 15 1
52 11 14 1
53 21 24 1
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