ATOM 61
1 C1x C 27.2108 -23.5036
2 C1x C 28.6098 -23.5036
3 O2x O 27.7704 -21.3351
4 C1y C 26.7211 -22.2445
5 C1y C 39.9419 -17.2080
6 C1x C 39.9419 -15.8090
7 C1x C 38.6828 -15.1794
8 O2x O 37.5635 -15.8789
9 C1z C 37.5635 -17.2779
10 C1y C 38.7527 -17.9075
11 O1a O 36.3044 -16.6484
12 O1a O 38.8227 -19.3065
13 C1a C 41.2010 -17.8375
14 C1y C 34.4857 -19.5164
15 C1x C 35.8148 -19.5164
16 C1y C 36.2345 -18.0474
17 O2x O 35.0453 -17.3479
18 C1y C 33.9960 -18.2573
19 C2b C 32.8069 -17.6277
20 C2b C 31.6177 -18.3272
21 C2c C 30.3586 -17.6976
22 C2b C 29.2393 -18.4671
23 C1c C 27.9802 -17.8375
24 C1b C 26.8610 -18.5371
25 C1z C 25.5319 -17.9775
26 C1x C 25.0423 -16.7883
27 C1x C 23.6433 -16.7883
28 C1y C 23.2935 -18.1873
29 O2x O 24.4827 -18.8868
30 O7a O 33.7162 -20.4257
31 C7a C 33.7162 -21.8248
32 C1c C 32.5970 -22.5942
33 C1y C 31.3379 -21.9647
34 O2x O 30.1487 -22.6642
35 C1z C 28.9595 -22.0346
36 C1x C 31.3379 -20.5656
37 C1x C 30.0788 -19.9361
38 C1x C 28.9595 -20.6356
39 C1c C 25.4620 -21.6149
40 C5x C 22.5940 -23.7134
41 C1x C 23.9231 -23.7135
42 C1z C 24.3428 -22.3144
43 O2x O 23.1536 -21.5450
44 C1y C 22.1043 -22.3844
45 C1y C 20.8452 -21.7548
46 C1x C 19.6560 -21.1253
47 C1z C 21.9644 -18.6770
48 C1x C 21.4748 -17.4178
49 C1x C 20.1457 -17.4178
50 C1z C 19.6560 -18.7469
51 O2x O 20.8452 -19.5164
52 C1a C 30.3586 -16.2986
53 C1a C 27.9802 -16.4385
54 C1a C 25.5319 -19.3765
55 C1a C 32.6670 -23.9933
56 C1a C 24.2728 -20.6356
57 O2x O 22.0344 -20.0760
58 O6a O 34.9753 -22.4543
59 C1a C 18.3270 -18.7469
60 O1a O 25.4620 -20.2858
61 O5x O 21.8245 -24.8327
BOND 69
1 1 2 1
2 3 4 1
3 1 4 1
4 5 6 1
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 5 10 1
10 9 11 1 #Down
11 10 12 1 #Up
12 5 13 1 #Up
13 14 15 1
14 15 16 1
15 16 17 1
16 17 18 1
17 14 18 1
18 9 16 1
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 25 29 1
30 24 25 1
31 14 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 33 36 1
38 36 37 1
39 37 38 1
40 38 35 1
41 2 35 1
42 35 3 1 #Up
43 4 39 1
44 40 41 1
45 41 42 1
46 42 43 1
47 43 44 1
48 40 44 1
49 39 42 1
50 44 45 1
51 45 46 1
52 47 48 1
53 48 49 1
54 49 50 1
55 50 51 1 #Up
56 47 51 1
57 28 47 1
58 46 50 1
59 21 52 1
60 23 53 1 #Up
61 25 54 1 #Up
62 32 55 1 #Down
63 42 56 1 #Down
64 47 57 1 #Down
65 45 57 1
66 31 58 2
67 50 59 1
68 39 60 1 #Up
69 40 61 2
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