ATOM 50
1 O6a O 26.4810 -18.6708
2 C6a C 27.6046 -17.7706
3 O6a O 28.7982 -18.6708
4 C1y C 27.6108 -15.9529
5 C1z C 31.1839 -13.8917
6 C1y C 32.4010 -11.8237
7 C1y C 32.3716 -14.5797
8 C2y C 33.5971 -12.5090
9 O1a O 32.7261 -15.9216
10 C2a C 34.9316 -12.1602
11 C1y C 30.0030 -13.1934
12 C1x C 32.3824 -13.2110
13 C1x C 31.1839 -15.2708
14 C1z C 28.7977 -13.8801
15 C1x C 30.0146 -11.8144
16 C1x C 29.9913 -15.9586
17 C1y C 28.7918 -15.2660
18 C1x C 27.6108 -13.1877
19 C1a C 28.7860 -12.4951
20 C1x C 31.2072 -11.1395
21 C1y C 26.4127 -13.8801
22 C1x C 26.4127 -15.2660
23 O2a O 25.0792 -13.1243
24 C1y C 23.7342 -13.8697
25 C1y C 23.7342 -15.2544
26 O2x O 22.5287 -13.1760
27 C1y C 22.5345 -15.9469
28 O7a O 24.8620 -15.9412
29 C1y C 21.3363 -13.8684
30 C1y C 21.3363 -15.2603
31 O2a O 22.5404 -17.3260
32 C7a C 24.8563 -17.3143
33 C1b C 20.1378 -13.1760
34 O2a O 20.1437 -15.9469
35 S4a S 21.3654 -18.0419
36 C1b C 23.6753 -18.0127
37 O6a O 25.9207 -17.7897
38 O1a O 20.1261 -11.7910
39 S4a S 18.9511 -15.2660
40 O1d O 20.2106 -18.6841
41 O1d O 20.3019 -17.4418 #-
42 O1d O 22.5752 -18.7050
43 C1c C 23.6928 -19.3917
44 O1d O 17.6929 -14.6906 #-
45 O1d O 18.9452 -13.8801
46 O1d O 18.9452 -16.6453
47 C1a C 22.4991 -20.0958
48 C1a C 24.8854 -20.0724
49 Z K 15.9181 -14.8333 #+
50 Z K 18.4538 -18.6368 #+
BOND 52
1 4 2 1 #Down
2 8 10 2
3 1 2 2
4 5 7 1 #Up
5 2 3 1
6 6 8 1 #Up
7 8 7 1
8 5 11 1
9 5 12 1
10 5 13 1
11 11 14 1
12 11 15 1
13 12 6 1
14 13 16 1
15 14 17 1
16 14 18 1
17 14 19 1 #Down
18 15 20 1
19 17 4 1
20 18 21 1
21 4 22 1
22 21 23 1 #Up
23 24 23 1 #Up
24 24 25 1
25 24 26 1
26 25 27 1
27 25 28 1 #Down
28 26 29 1
29 27 30 1
30 27 31 1 #Up
31 28 32 1
32 29 33 1 #Up
33 30 34 1 #Down
34 31 35 1
35 32 36 1
36 32 37 2
37 33 38 1
38 34 39 1
39 35 40 2
40 35 41 1
41 35 42 2
42 36 43 1
43 39 44 1
44 39 45 2
45 39 46 2
46 43 47 1
47 43 48 1
48 6 20 1
49 16 17 1
50 21 22 1
51 29 30 1
52 7 9 1 #Down
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