ATOM 49
1 C8y C 14.6828 -13.2849
2 N4x N 14.6828 -14.6833 #-
3 N5x N 17.1300 -14.6833
4 C8y C 17.1300 -13.2849
5 C8x C 15.9414 -12.5857
6 N4x N 17.1300 -17.1306 #-
7 C8y C 18.5284 -17.1306
8 C8y C 19.2976 -15.9419
9 C8y C 18.5284 -14.6833
10 C8y C 13.2844 -14.6833
11 C8x C 12.5852 -15.9419
12 C8y C 13.2844 -17.1306
13 N5x N 14.6828 -17.1306
14 C8y C 14.6828 -18.5290
15 C8x C 15.9414 -19.2981
16 C8y C 17.1300 -18.5290
17 C8y C 12.5852 -13.4947
18 C8y C 13.4941 -12.5857
19 C1y C 18.3886 -12.5857
20 C1y C 19.2976 -13.4947
21 C8y C 12.5852 -18.3891
22 C8y C 13.4941 -19.2981
23 C8y C 18.3886 -19.2981
24 C8y C 19.2976 -18.3891
25 C4a C 11.1868 -18.5290
26 C1b C 13.2844 -20.6965
27 C1a C 12.0258 -21.1860
28 C1a C 18.5984 -20.6965
29 C1b C 20.4862 -12.7955
30 C1b C 21.7448 -13.4947
31 C6a C 22.9334 -12.7955
32 O6a O 24.1920 -13.5646
33 O6a O 23.0034 -11.4670 #-
34 C1a C 18.5284 -11.1873
35 C1b C 20.4862 -15.2427
36 C6a C 21.7448 -15.9419
37 O6a O 22.9334 -15.2427 #-
38 O6a O 21.7448 -17.3403
39 C6a C 20.4862 -19.0884
40 O6a O 21.7448 -18.3891 #-
41 O6a O 20.4862 -20.4868
42 C2b C 11.1868 -13.2849
43 C2a C 10.3477 -14.4037
44 C1a C 13.2844 -11.1873
45 O4a O 10.3840 -17.4124
46 Z K 26.8800 -15.8200 #+
47 Z K 26.8800 -17.3600 #+
48 Z K 26.8800 -18.8300 #+
49 Z Cu 15.4700 -16.1000 #2+
BOND 49
1 1 2 1
2 3 4 1
3 4 5 2
4 1 5 1
5 6 7 1
6 7 8 2
7 8 9 1
8 3 9 2
9 2 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 16 6 1
17 10 17 2
18 1 18 2
19 18 17 1
20 4 19 1
21 9 20 1
22 19 20 1
23 12 21 1
24 14 22 1
25 21 22 2
26 16 23 1
27 7 24 1
28 24 23 2
29 21 25 1
30 22 26 1
31 26 27 1
32 23 28 1
33 20 29 1
34 29 30 1
35 30 31 1
36 31 32 2
37 31 33 1
38 19 34 1
39 8 35 1
40 35 36 1
41 36 37 1
42 36 38 2
43 24 39 1
44 39 40 1
45 39 41 2
46 17 42 1
47 42 43 2
48 18 44 1
49 25 45 2
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