ATOM 79
1 C1y C 20.3120 -18.4647
2 C1y C 20.3120 -19.8265
3 C1y C 21.4914 -20.5074
4 C1x C 22.6708 -19.8265
5 C1z C 22.6708 -18.4647
6 O2x O 21.4914 -17.7838
7 C1x C 19.0169 -18.0439
8 C1y C 18.2164 -19.1456
9 O2x O 19.0169 -20.2473
10 C1c C 17.0219 -19.8265
11 C1b C 15.8425 -19.1456
12 C1c C 14.6631 -19.8265
13 C1b C 13.4838 -19.1456
14 O1a O 12.3044 -19.8265
15 O1a O 14.6631 -21.1883
16 O1a O 17.0181 -21.1881
17 O2x O 23.8683 -19.1563
18 C1y C 25.0478 -18.4756
19 C1y C 25.0479 -17.1138
20 C1y C 23.8504 -16.4221
21 C1x C 22.6710 -17.1029
22 C1x C 26.3429 -18.8966
23 C1z C 27.1435 -17.7950
24 O2x O 26.3432 -16.6931
25 O2x O 27.9306 -18.8789
26 C1y C 29.2047 -18.4653
27 C1y C 29.2051 -17.1257
28 C1x C 27.9312 -16.7114
29 C1x C 30.3839 -19.1466
30 C1y C 31.5634 -18.4659
31 C1y C 31.5638 -17.1263
32 O2x O 30.3846 -16.4451
33 O2x O 32.7426 -19.1471
34 C1y C 33.9222 -18.4665
35 C1y C 33.9225 -17.1270
36 C1y C 32.7434 -16.4458
37 O7a O 35.1183 -16.4373
38 C7a C 36.2677 -17.1017
39 C1b C 37.4299 -16.4313
40 C1y C 38.5846 -17.0986
41 C1x C 39.7442 -16.4297
42 C1x C 40.9001 -17.0978
43 C1y C 40.9001 -18.4596
44 C1y C 39.7002 -19.1526
45 C1y C 39.7003 -20.5144
46 C1y C 40.8797 -21.1952
47 C1y C 42.0798 -20.5022
48 O2x O 42.0796 -19.1404
49 O2x O 38.5210 -21.1954
50 C1z C 38.5211 -22.5572
51 C1x C 39.7005 -23.2380
52 O2x O 40.8798 -22.5570
53 C1y C 41.7432 -23.2380
54 C1y C 43.2774 -21.1937
55 C1b C 37.3235 -23.2491
56 C1b C 37.3235 -24.6109
57 C1y C 36.1603 -25.2824
58 C1x C 36.1603 -26.6442
59 O2x O 34.9810 -24.6015
60 C1y C 33.7836 -25.2932
61 C1b C 32.6036 -24.6123
62 C2y C 33.7841 -26.6356
63 C1b C 32.6036 -23.2505
64 C1y C 33.7830 -22.5696
65 O2x O 33.7828 -21.1883
66 C1x C 34.9624 -23.2503
67 C1y C 36.1418 -22.5693
68 C2y C 36.1416 -21.1880
69 C1y C 35.0320 -20.5072
70 C1b C 34.9704 -19.1507
71 C2a C 37.1809 -20.5071
72 C1a C 21.4914 -21.8690
73 C1a C 23.8506 -15.0601
74 C1a C 32.7433 -15.0604
75 O6a O 36.2672 -18.4645
76 O2x O 38.5846 -18.4604
77 O2x O 39.7004 -21.8763
78 C2a C 32.8246 -27.5919
79 C1a C 36.8541 -23.7116
BOND 93
1 1 2 1
2 2 3 1
3 3 4 1
4 5 4 1 #Down
5 5 6 1 #Up
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 2 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 12 15 1 #Up
17 10 16 1 #Up
18 5 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 5 21 1
24 18 22 1
25 23 22 1 #Up
26 23 24 1 #Down
27 19 24 1
28 23 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 26 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 27 32 1
38 30 33 1
39 33 34 1
40 34 35 1
41 35 36 1
42 31 36 1
43 35 37 1
44 37 38 1
45 38 39 1
46 39 40 1
47 40 41 1
48 41 42 1
49 42 43 1
50 43 44 1
51 44 45 1
52 45 46 1
53 46 47 1
54 47 48 1
55 43 48 1
56 45 49 1
57 49 50 1
58 50 51 1
59 46 52 1
60 51 53 1
61 47 54 1
62 54 53 1
63 50 55 1
64 55 56 1
65 56 57 1
66 57 58 1
67 57 59 1
68 59 60 1
69 60 61 1
70 60 62 1
71 62 58 1
72 61 63 1
73 63 64 1
74 64 65 1
75 64 66 1
76 66 67 1
77 67 68 1
78 68 69 1
79 65 69 1
80 34 70 1
81 70 69 1
82 68 71 2
83 3 72 1 #Down
84 20 73 1 #Down
85 36 74 1 #Down
86 38 75 2
87 40 76 1
88 76 44 1
89 50 77 1 #Up
90 54 77 1 #Up
91 53 52 1
92 62 78 2
93 67 79 1 #Down
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