ATOM 62
1 C8y C 17.6222 -15.0921
2 C8x C 16.9100 -16.2972
3 C8y C 17.5976 -17.5164
4 C8y C 18.9972 -17.5306
5 C8y C 19.7093 -16.3256
6 C8y C 19.0217 -15.1063
7 C8x C 19.6848 -18.7497
8 C8x C 21.0844 -18.7638
9 C8y C 21.7964 -17.5588
10 C8y C 21.1089 -16.3397
11 S4a S 16.9346 -13.8730
12 S4a S 16.8856 -18.7212
13 N1a N 19.7337 -13.9015
14 O1a O 21.8209 -15.1346
15 O1d O 16.2471 -12.6539 #-
16 O1d O 18.1633 -13.1799
17 O1d O 15.7254 -14.5552
18 O1d O 16.1736 -19.9263 #-
19 O1d O 18.0906 -19.4333
20 O1d O 15.6806 -18.0092
21 N2b N 23.1790 -17.5629
22 N2b N 23.8667 -18.7821
23 C8y C 25.2880 -18.7263
24 C8x C 25.9714 -19.9381
25 C8x C 27.3710 -19.9522
26 C8y C 28.0831 -18.7471
27 C8x C 27.3996 -17.4653
28 C8y C 25.9999 -17.5213
29 C8y C 29.4891 -18.7611
30 C8x C 30.1766 -20.0496
31 C8x C 31.5761 -19.9937
32 C8y C 32.2880 -18.7885
33 C8y C 31.6007 -17.5700
34 C8x C 30.2010 -17.5560
35 N2b N 33.6902 -18.7325
36 N2b N 34.3914 -17.5453
37 C8y C 35.7826 -17.5590
38 C8x C 36.4589 -18.7576
39 C8x C 37.8585 -18.7716
40 C8y C 38.5704 -17.5665
41 C8y C 37.8940 -16.3676
42 C8y C 36.4944 -16.3537
43 C8y C 39.9700 -17.5804
44 C8x C 40.6818 -16.3751
45 C8y C 40.0055 -15.1765
46 C8y C 38.6060 -15.1626
47 O1a O 35.7956 -15.1145
48 N1a N 37.9274 -13.9596
49 S4a S 40.7192 -13.9684
50 O1d O 41.4312 -12.7633 #-
51 O1d O 39.5154 -13.2570
52 O1d O 41.9255 -14.6810
53 S4a S 40.6592 -18.8020
54 O1d O 41.3466 -20.0211 #-
55 O1d O 41.8611 -18.1237
56 O1d O 39.4234 -19.4993
57 C1a C 32.3024 -16.3813
58 C1a C 25.3084 -16.2950
59 Z Na 43.3209 -12.5972 #+
60 Z Na 42.8310 -20.2255 #+
61 Z Na 13.5774 -21.0653 #+
62 Z Na 13.2275 -12.4572 #+
BOND 63
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 3 12 1
14 6 13 1
15 10 14 1
16 11 15 1
17 11 16 2
18 11 17 2
19 12 18 1
20 12 19 2
21 12 20 2
22 9 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 23 28 1
31 26 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 29 34 1
38 32 35 1
39 35 36 2
40 36 37 1
41 37 38 2
42 38 39 1
43 39 40 2
44 40 41 1
45 41 42 2
46 37 42 1
47 40 43 1
48 43 44 2
49 44 45 1
50 45 46 2
51 41 46 1
52 42 47 1
53 46 48 1
54 45 49 1
55 49 50 1
56 49 51 2
57 49 52 2
58 43 53 1
59 53 54 1
60 53 55 2
61 53 56 2
62 33 57 1
63 28 58 1
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