ATOM 81
1 O2a O 30.7784 -23.5105
2 C1y C 30.7838 -24.9076
3 O2x O 29.5092 -25.6137
4 C1y C 31.9942 -25.6230
5 C1y C 29.5658 -27.0107
6 C1y C 31.9939 -27.0258
7 O1a O 33.2180 -24.9226
8 C1y C 30.7703 -27.7131
9 C1b C 28.3608 -27.7111
10 O1a O 33.2171 -27.7224
11 O1a O 30.7699 -29.1230
12 O1a O 27.1318 -27.0143
13 C1y C 27.1548 -13.0202
14 O2x O 27.1543 -14.4231
15 C1y C 28.3725 -12.3083
16 C1y C 28.3647 -15.1267
17 C1y C 29.5946 -13.0166
18 O1a O 28.3730 -10.9112
19 C1b C 28.3701 -16.5239
20 C1y C 29.5883 -14.4265
21 O1a O 30.8065 -12.3233
22 O2a O 27.1594 -17.2242
23 O1a O 30.8114 -15.1232
24 C1y C 27.1460 -18.6212
25 C1y C 28.3564 -19.3238
26 O2x O 25.9224 -19.3214
27 O2a O 29.5741 -18.6293
28 C1y C 28.3559 -20.7208
29 C1y C 25.9219 -20.7186
30 C1y C 30.7786 -19.3143
31 C1y C 27.1382 -21.4396
32 O1a O 29.5790 -21.6403
33 C1b C 24.7041 -21.4246
34 O2x O 30.7782 -20.7115
35 C1y C 32.0022 -18.6200
36 O1a O 27.1437 -22.8369
37 O1a O 23.4939 -20.7279
38 C1y C 32.0072 -21.4209
39 C1y C 33.2066 -19.3109
40 O1a O 31.9968 -17.2170
41 C1b C 31.9940 -22.8238
42 C1y C 33.1992 -20.7207
43 O1a O 34.4302 -18.6234
44 O1a O 34.4167 -21.4232
45 C1z C 23.5390 -12.3298
46 C1y C 22.3489 -11.6096
47 C1x C 23.5262 -13.7268
48 C1x C 24.7525 -11.6458
49 C2y C 21.1355 -12.3052
50 C1x C 22.2976 -10.2242
51 C1x C 22.3185 -14.4037
52 C1x C 24.7770 -10.2547
53 C1z C 21.1167 -13.7021
54 C2x C 19.9266 -11.5910
55 C1z C 23.5752 -9.5416
56 C1z C 19.9092 -14.3849
57 C1a C 21.0981 -15.0934
58 C1x C 18.7132 -12.2805
59 C1a C 22.8737 -8.3513
60 C1a C 24.2709 -8.3513
61 C1y C 18.6944 -13.6835
62 C1x C 19.9092 -15.7819
63 C1a C 20.5147 -13.0462
64 C1z C 17.4740 -14.3732
65 C1x C 18.6827 -16.4904
66 C1y C 17.4681 -15.7703
67 C1x C 16.2663 -13.6718
68 C1a C 17.4564 -12.9762
69 C1z C 16.2663 -16.4774
70 C1x C 15.0400 -14.3732
71 C1y C 15.0400 -15.7703
72 C1a C 15.5534 -17.9022
73 C1a C 16.8247 -17.9082
74 O2a O 13.8266 -16.4774
75 S4a S 12.4167 -16.4774
76 O1d O 11.0330 -16.4717
77 O1d O 12.4109 -15.0805
78 O1d O 12.4109 -17.8873 #-
79 C7a C 24.7435 -13.0273
80 O7a O 25.9492 -12.3293
81 O6a O 24.7433 -14.4233
BOND 89
1 2 3 1
2 2 4 1
3 3 5 1
4 4 6 1
5 4 7 1 #Down
6 5 8 1
7 5 9 1 #Up
8 6 10 1 #Up
9 8 11 1 #Down
10 9 12 1
11 6 8 1
12 2 1 1 #Up
13 17 20 1
14 29 31 1
15 39 42 1
16 13 14 1
17 13 15 1
18 14 16 1
19 15 17 1
20 15 18 1 #Down
21 16 19 1 #Up
22 16 20 1
23 17 21 1 #Up
24 19 22 1
25 20 23 1 #Down
26 24 22 1 #Up
27 24 25 1
28 24 26 1
29 25 27 1 #Down
30 25 28 1
31 26 29 1
32 30 27 1 #Up
33 28 31 1
34 28 32 1 #Up
35 29 33 1 #Up
36 30 34 1
37 30 35 1
38 31 36 1 #Down
39 33 37 1
40 34 38 1
41 35 39 1
42 35 40 1 #Down
43 38 41 1 #Up
44 38 42 1
45 39 43 1 #Up
46 42 44 1 #Down
47 45 46 1
48 45 47 1
49 45 48 1
50 46 49 1
51 46 50 1
52 47 51 1
53 48 52 1
54 49 53 1
55 49 54 2
56 50 55 1
57 53 56 1
58 53 57 1 #Down
59 54 58 1
60 55 59 1
61 55 60 1
62 56 61 1
63 56 62 1
64 56 63 1 #Up
65 61 64 1
66 62 65 1
67 64 66 1
68 64 67 1
69 64 68 1 #Up
70 66 69 1
71 67 70 1
72 69 71 1
73 69 72 1
74 69 73 1
75 71 74 1 #Up
76 74 75 1
77 75 76 2
78 75 77 2
79 75 78 1
80 51 53 1
81 52 55 1
82 58 61 1
83 65 66 1
84 70 71 1
85 45 79 1 #Up
86 79 80 1
87 13 80 1 #Up
88 79 81 2
89 41 1 1
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