ATOM 62
1 C1x C 27.8641 -23.4586
2 C1x C 29.2388 -23.3545
3 O2x O 28.3910 -21.2910
4 C1y C 27.3403 -22.1834
5 C1y C 40.6009 -17.1204
6 C1x C 40.6147 -15.7430
7 C1x C 39.3237 -15.1028
8 O2x O 38.2288 -15.8403
9 C1z C 38.2150 -17.2178
10 C1y C 39.4361 -17.8578
11 O1a O 36.9713 -16.5749
12 O1a O 39.4923 -19.2352
13 C1a C 41.8219 -17.7605
14 C1y C 35.1531 -19.4368
15 C1x C 36.4577 -19.4703
16 C1y C 36.8511 -17.9901
17 O2x O 35.6764 -17.2683
18 C1y C 34.6270 -18.1625
19 C2b C 33.4214 -17.5514
20 C2b C 32.2565 -18.2888
21 C2c C 31.0355 -17.6488
22 C2b C 29.8706 -18.3862
23 C1c C 28.6495 -17.7462
24 C1b C 27.4847 -18.4836
25 C1z C 26.1543 -17.9410
26 C1x C 25.6390 -16.6643
27 C1x C 24.2655 -16.7599
28 C1y C 23.9320 -18.0958
29 O2x O 25.0994 -18.8257
30 O7a O 34.3726 -20.3822
31 C7a C 34.3588 -21.7598
32 C1c C 33.2106 -22.5274
33 C1y C 31.9894 -21.8872
34 O2x O 30.8246 -22.6247
35 C1z C 29.6035 -21.9846
36 C1x C 32.0032 -20.5098
37 C1x C 30.7122 -19.8696
38 C1x C 29.6173 -20.6071
39 C1c C 26.1346 -21.5743
40 C5x C 23.2088 -23.6276
41 C1x C 24.5861 -23.5670
42 C1z C 24.9542 -22.2384
43 O2x O 23.8043 -21.4777
44 C1y C 22.7257 -22.3362
45 C1y C 21.5045 -21.6962
46 C1x C 20.2835 -21.0561
47 C1z C 22.5982 -18.6251
48 C1x C 22.1328 -17.3275
49 C1x C 20.7549 -17.3691
50 C1z C 20.2986 -18.6926
51 O2x O 21.5079 -19.4688
52 C1a C 30.9793 -16.2712
53 C1a C 28.5933 -16.3689
54 C1a C 26.2105 -19.3185
55 C1a C 33.2839 -23.9041
56 C1a C 24.8868 -20.5853
57 O2x O 22.6544 -20.0027
58 O6a O 35.6132 -22.3972
59 C1b C 18.9911 -18.6788
60 O1a O 18.2630 -17.5986
61 O1a O 26.0784 -20.1967
62 O5x O 22.4478 -24.7779
BOND 70
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 59 60 1
69 39 61 1 #Up
70 40 62 2
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