ATOM 88
1 C1y C 39.1997 -11.7425
2 O2x O 40.4128 -12.4483
3 C1y C 39.1924 -10.3412
4 C1y C 41.6328 -11.7290
5 C1y C 40.3966 -9.6315
6 O1a O 37.9711 -9.6461
7 C1y C 41.6844 -10.3341
8 C1b C 42.8473 -12.4257
9 O1a O 40.3863 -8.2389
10 O1a O 42.8346 -9.6149
11 C1y C 34.3480 -13.1578
12 C1y C 35.5608 -12.4556
13 O2x O 34.3526 -14.5612
14 C1y C 36.7896 -13.1460
15 O1a O 35.5533 -11.0570
16 C1x C 35.5653 -15.2678
17 O2a O 38.0024 -12.4437
18 C1y C 36.7965 -14.5573
19 O1a O 38.0076 -15.2551
20 C1y C 19.7789 -17.2631
21 C1y C 19.8334 -18.6752
22 O2x O 18.5697 -16.5509
23 O2a O 20.9831 -19.3816
24 C1y C 18.5522 -19.3619
25 C1y C 17.3299 -17.2506
26 C1y C 20.9545 -20.7793
27 C1y C 17.3418 -18.6506
28 O1a O 18.5451 -20.7712
29 C6a C 16.1236 -16.5445
30 C1y C 22.1738 -21.5002
31 O2x O 19.7203 -21.4699
32 O1a O 16.1075 -19.3411
33 O6a O 16.1305 -15.1349
34 O6a O 14.9051 -17.2369
35 O2a O 23.3846 -20.8011
36 C1y C 22.2178 -22.9048
37 C1y C 19.7067 -22.8901
38 C1y C 24.5877 -21.5123
39 C1y C 20.9356 -23.5947
40 O1a O 23.3511 -23.6160
41 C1b C 18.5016 -23.5804
42 O2x O 24.5818 -22.9084
43 C1y C 25.8141 -20.8238
44 O1a O 20.9088 -25.0008
45 C1y C 25.7879 -23.6147
46 C1y C 27.0303 -21.5250
47 O1a O 25.8189 -19.4064
48 C1y C 27.0073 -22.9246
49 C1b C 25.7840 -25.0190
50 O1a O 28.2425 -20.8349
51 O1a O 28.2244 -23.6374
52 O1a O 24.5657 -25.7054
53 C1z C 27.0746 -14.4903
54 C1z C 28.2924 -13.7850
55 C1y C 25.8637 -13.7676
56 C1x C 27.0746 -15.8882
57 C1a C 27.6288 -13.0682
58 C2y C 28.3112 -12.3874
59 C1x C 29.4847 -14.5020
60 C1a C 28.2807 -15.1828
61 C1z C 24.6526 -14.4729
62 C1x C 25.8824 -12.3700
63 C1x C 25.8578 -16.5876
64 C1y C 29.5207 -11.7067
65 C2x C 27.0991 -11.6833
66 C1x C 30.7084 -13.8097
67 C1y C 24.6409 -15.8823
68 C1x C 23.4361 -13.7676
69 C1a C 24.6283 -13.0682
70 C1z C 30.7201 -12.4179
71 C1x C 29.5454 -10.3089
72 C1z C 23.4361 -16.5747
73 C1x C 22.2122 -14.4729
74 C1y C 31.9369 -11.7371
75 C1a C 31.3384 -11.0142
76 C1z C 30.7622 -9.6224
77 C1y C 22.2122 -15.8823
78 C1b C 23.9184 -17.7985
79 C1a C 22.7263 -17.7985
80 O2a O 33.1475 -12.4600
81 C1y C 31.8972 -10.3451
82 C1a C 31.4616 -8.4076
83 C1a C 30.0510 -8.4076
84 O2a O 20.9956 -16.5747
85 O1a O 33.1967 -9.6586
86 O1a O 25.1829 -18.4257
87 O1a O 17.2919 -22.8661
88 O1a O 42.8537 -13.8276
BOND 97
1 31 37 1
2 38 35 1 #Up
3 36 39 1
4 36 40 1 #Up
5 37 41 1 #Up
6 38 42 1
7 38 43 1
8 39 44 1 #Up
9 42 45 1
10 43 46 1
11 43 47 1 #Down
12 45 48 1
13 45 49 1 #Up
14 46 50 1 #Up
15 48 51 1 #Down
16 49 52 1
17 25 27 1
18 37 39 1
19 46 48 1
20 11 12 1
21 11 13 1
22 12 14 1
23 12 15 1 #Down
24 13 16 1
25 14 17 1 #Up
26 14 18 1
27 18 19 1 #Up
28 16 18 1
29 1 17 1 #Up
30 7 10 1 #Down
31 5 7 1
32 1 2 1
33 1 3 1
34 2 4 1
35 3 5 1
36 3 6 1 #Down
37 4 7 1
38 4 8 1 #Up
39 5 9 1 #Up
40 20 21 1
41 20 22 1
42 21 23 1 #Down
43 21 24 1
44 22 25 1
45 26 23 1 #Up
46 24 27 1
47 24 28 1 #Up
48 25 29 1 #Up
49 26 30 1
50 26 31 1
51 27 32 1 #Down
52 29 33 1
53 29 34 2
54 53 54 1
55 53 55 1
56 53 56 1
57 53 57 1 #Up
58 54 58 1
59 54 59 1
60 54 60 1 #Down
61 55 61 1
62 55 62 1
63 56 63 1
64 58 64 1
65 58 65 2
66 59 66 1
67 61 67 1
68 61 68 1
69 61 69 1 #Up
70 64 70 1
71 64 71 1
72 67 72 1
73 68 73 1
74 70 74 1
75 70 75 1 #Up
76 71 76 1
77 72 77 1
78 72 78 1 #Up
79 72 79 1 #Down
80 74 80 1 #Up
81 74 81 1
82 76 82 1
83 76 83 1
84 77 84 1 #Up
85 81 85 1 #Up
86 62 65 1
87 63 67 1
88 66 70 1
89 73 77 1
90 76 81 1
91 20 84 1 #Up
92 30 35 1 #Down
93 78 86 1
94 11 80 1 #Up
95 41 87 1
96 30 36 1
97 8 88 1
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