ATOM 46
1 C8y C 15.7242 -18.6836
2 C8y C 15.7242 -20.0687
3 C8x C 16.9015 -20.7613
4 C8y C 18.0789 -20.0687
5 C8x C 18.0789 -18.6836
6 C8x C 16.9015 -17.9910
7 O2a O 14.4776 -20.7613
8 O1a O 14.4776 -17.9910
9 C1a C 14.4776 -22.1464
10 C2b C 19.3255 -20.7613
11 C2c C 20.5028 -20.0687
12 C5a C 21.6802 -20.7613
13 N1b N 22.8575 -20.0687
14 C1b C 24.0349 -20.7613
15 O5a O 21.6802 -22.1464
16 C2c C 20.5028 -17.6187
17 C2b C 21.7113 -16.9210
18 C5a C 19.3050 -16.9273
19 O5a O 18.0985 -17.6241
20 C8y C 22.9233 -17.6209
21 C8x C 22.9236 -19.0396
22 C8x C 24.1363 -19.7393
23 C8y C 25.3485 -19.0390
24 C8y C 25.3481 -17.6202
25 C8x C 24.1355 -16.9206
26 O1a O 26.5552 -19.7352
27 O2a O 26.5458 -16.9286
28 C1a C 27.7513 -17.6245
29 N1b N 19.3049 -15.5401
30 C1b C 18.0925 -14.8401
31 C1b C 16.8801 -15.5401
32 C8y C 15.6676 -14.8401
33 C8x C 15.6676 -13.4401
34 C8x C 14.4552 -12.7401
35 C8y C 13.2428 -13.4401
36 C8x C 13.2428 -14.8401
37 C8x C 14.4552 -15.5401
38 O1a O 12.0208 -12.7345
39 C1b C 24.0349 -22.1613
40 C8y C 25.2473 -22.8613
41 C8x C 25.2468 -24.2898
42 C8x C 26.4591 -24.9902
43 C8y C 27.6717 -24.2906
44 C8x C 27.6722 -22.8621
45 C8x C 26.4600 -22.1617
46 O1a O 28.8842 -24.9906
BOND 49
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 2 7 1
8 1 8 1
9 7 9 1
10 4 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 13 14 1
15 12 15 2
16 11 16 1
17 16 17 2
18 16 18 1
19 18 19 2
20 17 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 20 25 1
27 23 26 1
28 24 27 1
29 27 28 1
30 18 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 2
35 33 34 1
36 34 35 2
37 35 36 1
38 36 37 2
39 32 37 1
40 35 38 1
41 14 39 1
42 39 40 1
43 40 41 2
44 41 42 1
45 42 43 2
46 43 44 1
47 44 45 2
48 40 45 1
49 43 46 1
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