ATOM 77
1 C1y C 29.0587 -31.6855
2 C1y C 29.0587 -33.0642
3 C1y C 30.2526 -33.7535
4 C1y C 31.4465 -33.0642
5 C1y C 31.4465 -31.6855
6 O2x O 30.2526 -30.9962
7 C1y C 24.2336 -28.6526
8 C1y C 24.2336 -30.0312
9 C1y C 25.4274 -30.7205
10 C1y C 26.6214 -30.0312
11 C1y C 26.6214 -28.6526
12 O2x O 25.4274 -27.9633
13 C1y C 31.2645 -26.5847
14 C1y C 31.2645 -27.9633
15 C1y C 32.4583 -28.6526
16 C1y C 33.6523 -27.9633
17 C1y C 33.6523 -26.5847
18 O2x O 32.4583 -25.8954
19 C1y C 28.8679 -23.7511
20 C1y C 28.8811 -25.1328
21 O2x O 27.6655 -23.0696
22 C1y C 27.6732 -25.8306
23 O2a O 30.0756 -25.8161
24 C1y C 26.4741 -23.7622
25 C1y C 26.4787 -25.1470
26 O2a O 27.6862 -27.2124
27 C6a C 25.2824 -23.0737
28 C1z C 36.0342 -21.0130
29 C1z C 37.2183 -20.3335
30 C1y C 34.8429 -20.3164
31 C1x C 36.0342 -22.3894
32 C1a C 36.0169 -19.9010
33 C1z C 37.2354 -18.9631
34 C1x C 38.4096 -21.0246
35 C1a C 37.2125 -21.7041
36 C1z C 33.6473 -21.0016
37 C1x C 34.8486 -18.9400
38 C1x C 34.8256 -23.0862
39 C1y C 38.4440 -18.2893
40 C1x C 36.0571 -18.2663
41 C1y C 39.6052 -20.3635
42 C1y C 33.6414 -22.3836
43 C1x C 32.4515 -20.3106
44 C1a C 33.6989 -19.6196
45 C1z C 39.6225 -18.9930
46 C1x C 38.4555 -16.9132
47 O1a O 40.7837 -21.0546
48 C1z C 32.4515 -23.0747
49 C1x C 31.2604 -21.0016
50 C1x C 40.8251 -18.3192
51 C1z C 39.6570 -16.2520
52 C1y C 31.2604 -22.3836
53 C1a C 31.6653 -24.6863
54 C1a C 32.8056 -24.6863
55 C1x C 40.8366 -16.9488
56 C1a C 40.3307 -14.8368
57 C1a C 39.2855 -14.9102
58 O2a O 30.0646 -23.0747
59 O2x O 38.7050 -19.8591
60 C1x C 40.6096 -19.7512
61 O6a O 25.2824 -21.6951
62 O6a O 24.0793 -23.7682
63 O1a O 25.3137 -25.8254
64 C1b C 34.8646 -25.8846
65 O1a O 36.0514 -26.5696
66 O1a O 34.8646 -28.6634
67 O1a O 32.4583 -30.0310
68 O1a O 30.0706 -28.6526
69 C1b C 23.0397 -27.9633
70 O1a O 21.8625 -28.6431
71 O1a O 23.0397 -30.7205
72 O1a O 25.4274 -32.0989
73 O2a O 27.8337 -30.7313
74 O1a O 27.8648 -33.7535
75 O1a O 30.2526 -35.1319
76 O1a O 32.6588 -33.7643
77 C1a C 32.6588 -30.9854
BOND 86
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 7 12 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 13 18 1
19 24 25 1
20 19 20 1
21 19 21 1
22 20 22 1
23 20 23 1 #Down
24 21 24 1
25 22 25 1
26 22 26 1 #Up
27 24 27 1 #Up
28 28 29 1
29 28 30 1
30 28 31 1
31 28 32 1 #Up
32 29 33 1
33 29 34 1
34 29 35 1 #Down
35 30 36 1
36 30 37 1
37 31 38 1
38 33 39 1
39 33 40 1
40 34 41 1
41 36 42 1
42 36 43 1
43 36 44 1 #Up
44 39 45 1
45 39 46 1
46 41 47 1 #Down
47 42 48 1
48 43 49 1
49 45 50 1
50 46 51 1
51 48 52 1
52 48 53 1
53 48 54 1
54 50 55 1
55 51 56 1
56 51 57 1
57 52 58 1 #Up
58 37 40 1
59 38 42 1
60 41 45 1
61 49 52 1
62 51 55 1
63 19 58 1 #Up
64 33 59 1 #Up
65 45 60 1 #Up
66 59 60 1
67 27 61 1
68 27 62 2
69 25 63 1 #Down
70 13 23 1 #Down
71 17 64 1 #Down
72 64 65 1
73 16 66 1 #Up
74 15 67 1 #Down
75 14 68 1 #Up
76 11 26 1 #Up
77 7 69 1 #Up
78 69 70 1
79 8 71 1 #Up
80 9 72 1 #Up
81 10 73 1 #Down
82 1 73 1 #Down
83 2 74 1 #Up
84 3 75 1 #Up
85 4 76 1 #Down
86 5 77 1 #Up
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