ATOM 48
1 C8y C 24.0130 -18.9263
2 C8x C 24.7132 -20.1399
3 C8x C 26.1135 -20.1403
4 C8y C 26.8140 -18.9279
5 C8x C 26.1139 -17.7142
6 C8x C 24.7136 -17.7138
7 C8y C 28.2138 -18.9283
8 C8x C 28.9128 -20.1397
9 C8x C 30.3130 -20.1402
10 C8y C 31.0135 -18.9277
11 C8x C 30.3147 -17.7163
12 C8x C 28.9144 -17.7158
13 N2b N 32.4146 -18.9281
14 N2b N 33.8130 -18.9251
15 C8y C 35.2132 -18.9251
16 C8x C 35.9133 -20.1377
17 C8y C 37.3134 -20.1377
18 C8y C 38.0135 -18.9251
19 C8y C 37.3134 -17.7125
20 C8y C 35.9133 -17.7125
21 C8x C 39.4136 -18.9251
22 C8x C 40.1138 -17.7125
23 C8x C 39.4136 -16.5000
24 C8x C 38.0135 -16.5000
25 N1a N 35.2128 -16.4993
26 S4a S 38.0139 -21.3509
27 N2b N 22.6117 -18.9251
28 N2b N 21.2115 -18.9251
29 C8y C 19.8113 -18.9251
30 C8y C 19.1113 -17.7125
31 C8y C 17.7111 -17.7125
32 C8y C 17.0110 -18.9251
33 C8y C 17.7111 -20.1377
34 C8x C 19.1113 -20.1377
35 C8x C 17.0110 -16.5000
36 C8x C 15.6109 -16.5000
37 C8x C 14.9108 -17.7125
38 C8x C 15.6109 -18.9251
39 N1a N 19.8117 -16.4993
40 S4a S 17.0106 -21.3509
41 O1d O 39.4148 -21.3509 #-
42 O1d O 37.3132 -22.5646
43 O1d O 38.7150 -22.5653
44 O1d O 16.0317 -22.3311
45 O1d O 17.7124 -22.5664 #-
46 O1d O 16.3121 -20.1410
47 Z Na 19.0191 -22.5674 #+
48 Z Na 41.0971 -21.3538 #+
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 20 25 1
29 17 26 1
30 1 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 29 34 1
39 31 35 1
40 35 36 2
41 36 37 1
42 37 38 2
43 32 38 1
44 30 39 1
45 33 40 1
46 26 41 1
47 26 42 2
48 26 43 2
49 40 44 2
50 40 45 1
51 40 46 2
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