ATOM 85
1 C1y C 13.7065 -22.2076
2 O2x O 12.4989 -21.4926
3 C1y C 13.6909 -23.6162
4 C1y C 11.2869 -22.1803
5 C1y C 12.4677 -24.2949
6 O1a O 14.8875 -24.1122
7 C1y C 11.2664 -23.5767
8 C1b C 10.0822 -21.4559
9 O1a O 12.4502 -25.6846
10 O1a O 10.0495 -24.2535
11 O1a O 10.0949 -20.0568
12 C1y C 17.3807 -24.2235
13 C1y C 18.5766 -24.9405
14 O2x O 16.1561 -24.9115
15 C1y C 18.5622 -26.3373
16 O1a O 19.7979 -24.2462
17 C1x C 16.1459 -26.3142
18 C1y C 17.3408 -27.0317
19 O1a O 19.7709 -27.0409
20 O1a O 17.3334 -28.4265
21 C1y C 23.3675 -19.2115
22 C1y C 23.3812 -20.6082
23 O2x O 22.1377 -18.5195
24 C1y C 22.1700 -21.3304
25 O2a O 24.6047 -21.2968
26 C1x C 20.9301 -19.2356
27 C1y C 20.9516 -20.6446
28 O1a O 22.1889 -22.5899
29 C1y C 24.6185 -22.6933
30 O2a O 19.7469 -21.3557
31 O2x O 23.4082 -23.4025
32 C1y C 25.8312 -23.3894
33 C1y C 18.5227 -20.6801
34 C1y C 23.4088 -24.7984
35 C1y C 25.8337 -24.7943
36 O1a O 27.0433 -22.6892
37 C1y C 17.3363 -21.4296
38 O2x O 18.5386 -19.2807
39 C1y C 24.6215 -25.4944
40 C1b C 22.1958 -25.4979
41 O1a O 27.0462 -25.4901
42 C1y C 16.0997 -20.7755
43 O2a O 17.3930 -22.8240
44 C1y C 17.2213 -18.6339
45 O1a O 24.6097 -26.8981
46 O2a O 14.9260 -21.5174
47 C1y C 16.1168 -19.3767
48 C1b C 17.1713 -17.2300
49 O1a O 14.8109 -18.7216
50 O1a O 18.3514 -16.4769
51 C1z C 31.8603 -14.3627
52 C1y C 33.0747 -13.6840
53 C1z C 31.8369 -15.7551
54 O2x O 32.2242 -12.9996
55 C1x C 30.6585 -13.6606
56 C1z C 34.2005 -14.3920
57 C1x C 33.0224 -12.2918
58 C1z C 30.6351 -16.4512
59 C1x C 33.0384 -16.4629
60 C1a C 31.8310 -17.1532
61 C1x C 33.8961 -13.0359
62 C1x C 29.3753 -14.3510
63 C1y C 34.2530 -15.7842
64 C1x C 35.4838 -13.7205
65 C1z C 34.3186 -11.6203
66 C1y C 29.4279 -15.7364
67 C1x C 30.6351 -17.8493
68 C1a C 31.3234 -15.0532
69 O1a O 35.4545 -16.4980
70 C1x C 35.5026 -12.3281
71 C1a C 33.5918 -10.3940
72 C4a C 34.9959 -10.3940
73 C1z C 28.2133 -16.4324
74 C1x C 29.4219 -18.5456
75 C1y C 28.2074 -17.8436
76 C1x C 27.0059 -15.7305
77 C1a C 28.2074 -15.0472
78 C1z C 27.0059 -18.5268
79 C1x C 25.7983 -16.4324
80 C1y C 25.7983 -17.8436
81 C1a C 26.2979 -19.8113
82 C1a C 27.6368 -19.8141
83 O2a O 24.5837 -18.5268
84 O4a O 34.6229 -9.0333
85 O1a O 20.7958 -25.4979
BOND 95
1 33 38 1
2 34 39 1
3 34 40 1 #Up
4 35 41 1 #Up
5 37 42 1
6 37 43 1 #Down
7 38 44 1
8 39 45 1 #Down
9 42 46 1 #Up
10 42 47 1
11 44 48 1 #Up
12 47 49 1 #Down
13 48 50 1
14 26 27 1
15 35 39 1
16 44 47 1
17 4 8 1 #Up
18 5 9 1 #Up
19 12 13 1
20 12 14 1
21 13 15 1
22 13 16 1 #Down
23 14 17 1
24 15 18 1
25 15 19 1 #Up
26 18 20 1 #Down
27 17 18 1
28 7 10 1 #Down
29 8 11 1
30 5 7 1
31 1 2 1
32 1 3 1
33 2 4 1
34 3 5 1
35 3 6 1 #Down
36 4 7 1
37 21 22 1
38 21 23 1
39 22 24 1
40 22 25 1 #Down
41 23 26 1
42 24 27 1
43 24 28 1 #Up
44 29 25 1 #Up
45 27 30 1 #Up
46 29 31 1
47 29 32 1
48 33 30 1 #Up
49 31 34 1
50 32 35 1
51 32 36 1 #Down
52 51 52 1
53 51 53 1
54 51 54 1 #Up
55 51 55 1
56 52 56 1
57 52 57 1
58 53 58 1
59 53 59 1
60 53 60 1 #Down
61 54 61 1
62 55 62 1
63 56 63 1
64 56 64 1
65 57 65 1
66 58 66 1
67 58 67 1
68 58 68 1 #Up
69 63 69 1 #Down
70 64 70 1
71 65 71 1 #Down
72 65 72 1 #Up
73 66 73 1
74 67 74 1
75 73 75 1
76 73 76 1
77 73 77 1 #Up
78 75 78 1
79 76 79 1
80 78 80 1
81 78 81 1
82 78 82 1
83 80 83 1 #Up
84 56 61 1 #Up
85 59 63 1
86 62 66 1
87 65 70 1
88 74 75 1
89 79 80 1
90 21 83 1 #Up
91 12 43 1 #Up
92 1 46 1 #Up
93 33 37 1
94 72 84 2
95 40 85 1
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