ATOM 79
1 C1y C 33.3720 -10.5850
2 C1x C 34.7731 -10.5850
3 C1y C 35.7658 -11.5705
4 C1y C 35.7658 -12.9716
5 O2x O 34.7731 -13.9643
6 C1x C 32.3863 -11.5705
7 C1x C 36.9782 -13.6716
8 C1y C 38.1907 -12.9716
9 O2x O 36.9782 -10.8705
10 C2x C 23.7889 -17.9246
11 C2x C 25.1011 -17.4938
12 O2x O 25.3867 -20.5810
13 O2x O 21.9952 -18.8225
14 C1y C 23.3068 -19.1678
15 C1y C 23.9281 -20.4102
16 C2x C 23.3068 -21.6528
17 C2x C 21.9952 -21.9289
18 C1y C 26.5080 -19.6845
19 C1y C 26.3447 -18.3217
20 O2x O 26.9960 -17.2154
21 C2x C 29.5673 -20.0663
22 C2x C 13.0910 -20.5068
23 C2x C 13.6824 -19.2637
24 C1x C 15.0253 -18.9414
25 C1y C 16.1055 -19.7856
26 C1y C 13.7075 -21.7520
27 C1y C 16.1290 -21.1686
28 O2x O 15.0578 -22.0417
29 C1y C 17.3361 -21.8386
30 C1y C 18.5199 -21.1282
31 C1y C 18.4964 -19.7452
32 O2x O 17.2894 -19.0752
33 C2b C 12.8758 -22.8206
34 C2b C 11.6876 -22.1360
35 C1c C 10.4919 -22.8263
36 C1b C 9.2963 -22.1360
37 O1a O 8.1006 -22.8263
38 O1a O 10.4919 -24.2066
39 O2x O 19.7271 -21.7980
40 C1y C 20.9108 -21.0876
41 C1y C 20.8874 -19.7046
42 C1x C 19.6802 -19.0347
43 O1a O 17.3592 -23.2404
44 C1x C 27.3747 -20.3873
45 C2x C 28.4375 -20.5835
46 C1x C 30.2030 -18.9177
47 C1x C 28.2606 -15.5036
48 C1y C 29.1402 -14.4196
49 C1z C 30.5408 -14.4228
50 C1y C 31.4038 -15.5127
51 C1y C 28.5708 -16.8780
52 O2x O 31.0965 -16.8812
53 C1y C 29.8323 -17.4860
54 C1x C 32.7889 -15.3088
55 C1y C 33.3049 -14.0074
56 O2x O 31.0568 -13.1214
57 C1y C 32.3863 -12.9716
58 C1y C 38.2300 -11.5347
59 C1y C 39.3267 -10.6710
60 C1y C 40.6921 -10.9824
61 C1y C 41.2940 -12.2356
62 C1y C 40.6930 -13.5029
63 O2x O 39.3267 -13.8145
64 C1y C 41.4885 -14.6549
65 C1y C 42.8840 -14.5419
66 C1z C 43.4850 -13.2747
67 O2x O 42.6894 -12.1227
68 C1a C 43.9035 -15.5051
69 C1x C 44.4027 -14.3441
70 C1y C 45.7033 -13.8017
71 C1x C 45.5895 -12.3972
72 O2x O 44.2184 -12.0714
73 O1a O 46.8983 -14.5302
74 C1a C 40.9024 -15.8913
75 C1a C 39.0128 -9.2788
76 O1a O 28.5361 -13.1476
77 C1a C 29.8408 -13.2104
78 O1a O 41.5530 -9.9036
79 C1a C 32.8336 -9.2853
BOND 91
1 1 2 1
2 2 3 1
3 4 5 1
4 6 1 1
5 4 7 1
6 7 8 1
7 3 9 1
8 3 4 1
9 10 11 2
10 15 16 1
11 13 14 1
12 16 17 2
13 10 14 1
14 15 12 1
15 14 15 1
16 20 19 1
17 11 19 1
18 18 12 1
19 19 18 1
20 22 26 1
21 25 27 1
22 23 24 1
23 26 28 1
24 22 23 2
25 29 30 1
26 31 32 1
27 26 33 1 #Up
28 33 34 2
29 34 35 1
30 35 36 1
31 36 37 1
32 35 38 1 #Down
33 30 39 1
34 39 40 1
35 41 42 1
36 31 42 1
37 29 43 1 #Down
38 31 30 1
39 28 27 1
40 29 27 1
41 24 25 1
42 32 25 1
43 13 41 1
44 17 40 1
45 41 40 1
46 18 44 1
47 44 45 1
48 45 21 2
49 46 21 1
50 49 50 1
51 47 51 1
52 50 52 1
53 48 49 1
54 51 53 1
55 47 48 1
56 52 53 1
57 20 51 1
58 53 46 1
59 50 54 1
60 54 55 1
61 49 56 1
62 56 57 1
63 6 57 1
64 57 55 1
65 55 5 1
66 60 61 1
67 61 62 1
68 59 60 1
69 58 59 1
70 62 63 1
71 9 58 1
72 58 8 1
73 8 63 1
74 62 64 1
75 64 65 1
76 65 66 1
77 66 67 1
78 61 67 1
79 65 68 1 #Up
80 66 69 1
81 69 70 1
82 70 71 1
83 71 72 1
84 66 72 1 #Up
85 70 73 1 #Up
86 64 74 1 #Down
87 59 75 1 #Up
88 48 76 1 #Up
89 49 77 1 #Up
90 60 78 1 #Down
91 1 79 1 #Down
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