ATOM 49
1 C2x C 16.8000 -19.1800
2 C2y C 16.8000 -20.5800
3 C2x C 18.0124 -21.2800
4 C2x C 19.2249 -20.5800
5 C2y C 19.2249 -19.1800
6 C2x C 18.0124 -18.4800
7 C2c C 20.4560 -18.4690
8 C8y C 21.6612 -19.1647
9 C8x C 21.6616 -20.5796
10 C8x C 22.8742 -21.2793
11 C8y C 24.0865 -20.5789
12 C8x C 24.0860 -19.1639
13 C8x C 22.8734 -18.4643
14 C8y C 20.4557 -17.0801
15 C8x C 21.6562 -16.3866
16 C8x C 21.6559 -14.9866
17 C8x C 20.4433 -14.2869
18 C8x C 19.2428 -14.9804
19 C8x C 19.2431 -16.3804
20 N1c N 25.2924 -21.2800
21 C1b C 26.5049 -20.5800
22 C8y C 27.7173 -21.2800
23 C8x C 27.7173 -22.6800
24 C8x C 28.9297 -23.3800
25 C8x C 30.1422 -22.6800
26 C8y C 30.1422 -21.2800
27 C8x C 28.9297 -20.5800
28 N2b N 15.5876 -21.2800 #+
29 C1b C 14.3751 -20.5800
30 C8y C 13.1627 -21.2800
31 C1b C 15.5876 -22.6798
32 C1a C 16.8168 -23.3897
33 C8x C 11.9482 -20.5788
34 C8y C 10.7358 -21.2788
35 C8x C 10.7358 -22.6788
36 C8x C 11.9503 -23.3800
37 C8x C 13.1627 -22.6800
38 S4a S 9.5047 -20.5678
39 O1d O 8.2923 -19.8678 #-
40 O1d O 10.2033 -19.3581
41 O1d O 8.8032 -21.7826
42 S4a S 31.3753 -20.5678
43 O1d O 32.5877 -19.8678 #-
44 O1d O 30.6767 -19.3581
45 O1d O 32.0768 -21.7826
46 C1b C 25.2903 -22.6799
47 C1a C 24.0616 -23.3870
48 Z Na 34.3000 -19.7400 #+
49 Z Na 5.9500 -19.8100 #+
BOND 51
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 2
7 5 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 7 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 11 20 1
23 20 21 1
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 2 28 2
32 28 29 1
33 29 30 1
34 28 31 1
35 31 32 1
36 30 33 2
37 33 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 30 37 1
42 34 38 1
43 38 39 1
44 38 40 2
45 38 41 2
46 26 42 1
47 42 43 1
48 42 44 2
49 42 45 2
50 20 46 1
51 46 47 1
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