ATOM 45
1 C8x C 20.2071 -18.1553
2 C8x C 20.2071 -19.5374
3 C8x C 21.3980 -20.2212
4 C8x C 21.3980 -17.4712
5 C8y C 22.5887 -18.1553
6 C8y C 22.5827 -19.5374
7 N4y N 23.7677 -20.2265
8 C8y C 23.7797 -17.4765
9 C8y C 24.9716 -18.1656
10 C8y C 24.9591 -19.5440
11 C8y C 26.1374 -20.2370
12 C8y C 27.3356 -19.5587
13 C8y C 27.3483 -18.1874
14 C8y C 26.1626 -17.4944
15 O1a O 26.1513 -16.1174
16 O5x O 23.7679 -16.0963
17 C8x C 23.6975 -13.1347
18 C8x C 23.6975 -14.5097
19 C8x C 24.8953 -15.2009
20 C8x C 24.8953 -12.4509
21 C8y C 26.0790 -13.1347
22 C8y C 26.1431 -14.5097
23 N4x N 27.2652 -15.2059
24 C8y C 27.2770 -12.4560
25 C8y C 28.4620 -13.1451
26 C8y C 28.5194 -14.5165
27 C8x C 30.8386 -13.1669
28 C8y C 29.6601 -12.4739
29 C8y C 30.8959 -14.5383
30 C8y C 29.6362 -15.2154
31 C1y C 29.6234 -16.5848
32 C1x C 30.8000 -17.2773
33 C1z C 31.9968 -16.6073
34 O2x O 32.0028 -15.2378
35 O5x O 27.2653 -11.0759
36 O1a O 29.6486 -11.0970
37 C1a C 33.1813 -15.9059
38 C1a C 33.1813 -17.2880
39 O1a O 28.5134 -20.2495
40 C1a C 23.8238 -21.5962
41 C1b C 26.1371 -21.6033
42 C2b C 27.3288 -22.2943
43 C2c C 27.3288 -23.6624
44 C1a C 28.5134 -24.3462
45 C1a C 26.1301 -24.3393
BOND 51
1 1 2 1
2 2 3 2
3 21 22 2
4 22 23 1
5 23 26 1
6 25 24 1
7 24 21 1
8 3 6 1
9 9 10 2
10 10 11 1
11 11 12 2
12 25 26 2
13 26 30 1
14 29 27 1
15 27 28 2
16 28 25 1
17 12 13 1
18 13 14 2
19 14 9 1
20 5 6 2
21 14 15 1
22 6 7 1
23 29 30 2
24 30 31 1
25 31 32 1
26 32 33 1
27 33 34 1
28 34 29 1
29 8 16 2
30 24 35 2
31 7 10 1
32 28 36 1
33 13 31 1
34 9 8 1
35 8 5 1
36 33 37 1
37 5 4 1
38 33 38 1
39 17 18 1
40 12 39 1
41 18 19 2
42 7 40 1
43 19 22 1
44 11 41 1
45 21 20 1
46 41 42 1
47 20 17 2
48 42 43 2
49 4 1 2
50 43 44 1
51 43 45 1
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