ATOM 57
1 C1y C 15.4778 -21.4199
2 O2x O 14.2681 -20.7053
3 C1y C 15.4682 -22.8304
4 C1y C 13.0439 -21.3985
5 C1y C 14.2389 -23.5204
6 O1a O 16.6079 -23.5449
7 C1y C 13.0291 -22.8060
8 C1b C 11.8361 -20.6921
9 O1a O 14.2430 -24.9080
10 O1a O 11.8119 -23.4877
11 O1a O 11.8487 -19.2767
12 C1z C 26.3645 -16.5651
13 C1y C 25.2427 -15.8452
14 C1x C 26.4227 -17.9583
15 C7a C 27.6449 -17.2557
16 C1x C 27.6566 -15.8804
17 C2y C 24.0205 -16.5300
18 C1x C 25.2603 -14.4461
19 C1x C 25.2004 -18.6372
20 O7a O 28.8601 -16.5476
21 O6a O 27.6391 -18.6607
22 C1x C 27.6743 -14.4812
23 C1z C 23.9971 -17.9349
24 C2x C 22.8099 -15.8218
25 C1z C 26.4696 -13.7729
26 C1y C 30.0765 -17.2500
27 C1z C 22.7806 -18.6255
28 C1a C 23.9854 -19.3338
29 C1x C 21.5759 -16.5182
30 C1a C 27.1660 -12.5390
31 C1a C 25.7613 -12.5390
32 O2x O 30.0999 -18.6607
33 C1y C 31.2871 -16.5359
34 C1y C 21.5701 -17.9174
35 C1x C 22.7806 -20.0305
36 C1a C 23.3990 -17.2148
37 C1y C 31.3280 -19.3396
38 C1y C 32.5723 -17.2148
39 O1a O 31.2450 -15.1310
40 C1z C 20.3547 -18.6138
41 C1x C 21.5584 -20.7328
42 C1y C 32.5269 -18.6198
43 C1b C 31.3514 -20.7445
44 O1a O 33.7070 -16.4819
45 C1y C 20.3420 -20.0189
46 C1x C 19.1326 -17.9115
47 C1a C 20.3361 -17.2031
48 O1a O 33.7538 -19.2987
49 C1z C 19.1326 -20.7271
50 C1x C 17.9162 -18.6138
51 C1y C 17.9162 -20.0189
52 C6a C 19.8362 -22.2180
53 C1a C 18.4243 -21.9363
54 O2a O 16.6939 -20.7271
55 O6a O 19.1278 -23.4403
56 O6a O 21.2350 -22.2180
57 O1a O 30.1508 -21.4646
BOND 63
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 4 8 1 #Up
8 5 9 1 #Up
9 7 10 1 #Down
10 8 11 1
11 5 7 1
12 12 13 1
13 12 14 1
14 12 15 1 #Up
15 12 16 1
16 13 17 1
17 13 18 1
18 14 19 1
19 15 20 1
20 15 21 2
21 16 22 1
22 17 23 1
23 17 24 2
24 18 25 1
25 26 20 1 #Up
26 23 27 1
27 23 28 1 #Down
28 24 29 1
29 25 30 1
30 25 31 1
31 26 32 1
32 26 33 1
33 27 34 1
34 27 35 1
35 27 36 1 #Up
36 32 37 1
37 33 38 1
38 33 39 1 #Down
39 34 40 1
40 35 41 1
41 37 42 1
42 37 43 1 #Up
43 38 44 1 #Up
44 40 45 1
45 40 46 1
46 40 47 1 #Up
47 42 48 1 #Down
48 45 49 1
49 46 50 1
50 49 51 1
51 49 52 1 #Down
52 49 53 1 #Up
53 51 54 1 #Up
54 52 55 1
55 52 56 2
56 19 23 1
57 22 25 1
58 29 34 1
59 38 42 1
60 41 45 1
61 50 51 1
62 1 54 1 #Up
63 43 57 1
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