ATOM 85
1 C1z C 33.1335 -12.5559
2 C1y C 34.3360 -11.8675
3 C1y C 33.1335 -13.9249
4 C1x C 31.9383 -11.8750
5 C1a C 33.1259 -11.2095
6 C1y C 35.5162 -12.5633
7 C1y C 34.3360 -10.4832
8 C1y C 31.9459 -14.6207
9 C1y C 35.5085 -13.9323
10 C1x C 30.7735 -12.5028
11 O2x O 36.6735 -11.8750
12 C1z C 36.6884 -10.4983
13 C1a C 33.3983 -9.5452
14 C1y C 30.7660 -13.9475
15 C1x C 31.8985 -15.7856
16 O1a O 36.4616 -14.8854
17 C1x C 37.7171 -10.1656
18 O2x O 37.6491 -9.0839
19 C1z C 29.5859 -14.6283
20 C1x C 30.7735 -16.6631
21 C1x C 39.2452 -10.6271
22 C1x C 38.7382 -9.8403
23 C1y C 29.5859 -15.9899
24 C1x C 28.4135 -13.9551
25 C1a C 29.5708 -13.2894
26 C1y C 39.9184 -9.4244
27 C1x C 28.4135 -16.6705
28 C1y C 27.2487 -14.6283
29 C1a C 41.0226 -9.9008
30 C1y C 27.2487 -15.9899
31 O1a O 26.0914 -13.9551
32 O2a O 26.0839 -16.6479
33 C1y C 24.9190 -17.3286
34 O2x O 23.7390 -16.6631
35 C1y C 24.9190 -18.6901
36 C1y C 22.5817 -17.3286
37 C1y C 23.7390 -19.3784
38 O1a O 26.0839 -19.3482
39 C1y C 22.5817 -18.6901
40 C1b C 21.4170 -16.6631
41 O1a O 23.7390 -20.7097
42 O2a O 21.4093 -19.3482
43 O1a O 21.4170 -15.3167
44 C1y C 20.2597 -20.0214
45 C1y C 20.2597 -21.3829
46 O2x O 19.0798 -19.3558
47 C1y C 19.0798 -22.0635
48 O2a O 21.3036 -22.6082
49 C1y C 17.9224 -20.0214
50 O2a O 19.0798 -23.4099
51 C1y C 17.9224 -21.3829
52 C1y C 23.3835 -23.5839
53 C1b C 16.7575 -19.3558
54 C1y C 17.5971 -24.6052
55 O1a O 16.7575 -22.0484
56 C1y C 24.5485 -22.9109
57 O2x O 23.3835 -24.9380
58 O1a O 16.7575 -18.0094
59 C1y C 17.5971 -25.9667
60 O2x O 16.4172 -23.9395
61 C1y C 25.7284 -23.5839
62 O1a O 24.5485 -21.5645
63 C1y C 24.5485 -25.6112
64 C1y C 16.4172 -26.6548
65 O1a O 18.7545 -26.6322
66 C1x C 15.2599 -24.6052
67 O2a O 27.3698 -22.6613
68 C1y C 25.7586 -24.9757
69 C1b C 24.5408 -26.9575
70 C1y C 15.2599 -25.9667
71 O1a O 16.4172 -27.9938
72 C1y C 29.2606 -23.2739
73 O1a O 26.8780 -25.6112
74 O1a O 23.3835 -27.6231
75 O1a O 14.0949 -26.6248
76 O2x O 29.2606 -24.6278
77 C1y C 30.4331 -22.5856
78 C1y C 30.4256 -25.3010
79 C1y C 31.6132 -23.2739
80 O1a O 30.4331 -21.2544
81 C1y C 31.5904 -24.6127
82 C1b C 30.4105 -26.6322
83 O1a O 32.7703 -22.6082
84 O1a O 32.7551 -25.3010
85 O1a O 29.2606 -27.2980
BOND 95
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 6 11 1
11 7 12 1
12 7 13 1 #Down
13 8 14 1
14 8 15 1
15 9 16 1 #Up
16 12 17 1
17 12 18 1 #Down
18 14 19 1
19 15 20 1
20 17 21 1
21 18 22 1
22 19 23 1
23 19 24 1
24 19 25 1 #Up
25 21 26 1
26 23 27 1
27 24 28 1
28 26 29 1
29 27 30 1
30 28 31 1 #Down
31 30 32 1 #Up
32 33 32 1 #Up
33 33 34 1
34 33 35 1
35 34 36 1
36 35 37 1
37 35 38 1 #Down
38 36 39 1
39 36 40 1 #Up
40 37 41 1 #Up
41 39 42 1 #Up
42 40 43 1
43 44 42 1 #Up
44 44 45 1
45 44 46 1
46 45 47 1
47 45 48 1 #Down
48 46 49 1
49 47 50 1 #Up
50 47 51 1
51 52 48 1 #Up
52 49 53 1 #Up
53 54 50 1 #Up
54 51 55 1 #Down
55 52 56 1
56 52 57 1
57 53 58 1
58 54 59 1
59 54 60 1
60 56 61 1
61 56 62 1 #Down
62 57 63 1
63 59 64 1
64 59 65 1 #Down
65 60 66 1
66 61 67 1 #Up
67 61 68 1
68 63 69 1 #Up
69 64 70 1
70 64 71 1 #Up
71 72 67 1 #Up
72 68 73 1 #Up
73 69 74 1
74 70 75 1 #Down
75 72 76 1
76 72 77 1
77 76 78 1
78 77 79 1
79 77 80 1 #Down
80 78 81 1
81 78 82 1 #Up
82 79 83 1 #Up
83 81 84 1 #Down
84 82 85 1
85 6 9 1
86 10 14 1
87 11 12 1
88 20 23 1
89 22 26 1
90 28 30 1
91 37 39 1
92 49 51 1
93 63 68 1
94 66 70 1
95 79 81 1
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