ATOM 48
1 C8y C 13.1954 -15.6520
2 C8y C 13.1954 -14.2482
3 C8x C 14.3886 -13.5464
4 C8x C 15.5818 -14.2482
5 C8y C 15.5818 -15.6520
6 C8x C 14.3886 -16.3539
7 C1b C 16.8452 -16.3539
8 C1c C 18.0384 -15.6520
9 C1c C 19.2316 -16.3539
10 C1b C 20.4950 -15.6520
11 C8y C 21.6882 -16.3539
12 C8x C 22.8814 -15.5818
13 C8y C 24.1448 -16.2837
14 C8y C 24.1448 -17.6875
15 C8x C 22.8814 -18.3894
16 C8x C 21.6882 -17.7577
17 O1a O 11.9320 -13.5464
18 O2a O 11.9320 -16.3539
19 C1a C 10.7388 -15.6520
20 O2a O 25.3380 -15.5818
21 C1a C 26.6014 -16.2837
22 O1a O 25.3380 -18.4595
23 C1b C 18.0384 -14.2482
24 C1b C 19.2316 -17.7577
25 O2a O 20.4950 -18.4595
26 O2a O 16.8452 -13.5464
27 C1y C 16.8452 -12.1426
28 C1y C 20.4950 -19.8633
29 O2x O 18.0384 -11.4407
30 C1y C 18.0384 -10.0369
31 C1y C 16.8452 -9.3351
32 C1y C 15.6520 -10.0369
33 C1y C 15.6520 -11.4407
34 C1b C 19.2316 -9.3351
35 O1a O 14.4588 -9.3351
36 O1a O 16.8452 -7.9313
37 O1a O 14.4588 -12.1426
38 O1a O 20.4248 -10.0369
39 O2x O 19.3018 -20.5652
40 C1y C 19.3018 -21.9690
41 C1y C 20.4950 -22.6708
42 C1y C 21.6882 -21.9690
43 C1y C 21.6882 -20.5652
44 C1b C 18.1086 -22.6708
45 O1a O 22.8814 -22.6708
46 O1a O 20.4950 -24.0746
47 O1a O 22.8814 -19.8633
48 O1a O 16.9154 -21.9690
BOND 51
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 2 17 1
19 1 18 1
20 18 19 1
21 13 20 1
22 20 21 1
23 14 22 1
24 8 23 1 #Up
25 9 24 1 #Up
26 24 25 1
27 23 26 1
28 27 26 1 #Up
29 28 25 1 #Up
30 27 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 27 33 1
36 30 34 1 #Up
37 32 35 1 #Up
38 31 36 1 #Down
39 33 37 1 #Down
40 34 38 1
41 28 39 1
42 39 40 1
43 40 41 1
44 41 42 1
45 42 43 1
46 28 43 1
47 40 44 1 #Up
48 42 45 1 #Up
49 41 46 1 #Down
50 43 47 1 #Down
51 44 48 1
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