ATOM 39
1 C1x C 21.8949 -15.6763
2 C1y C 22.3164 -14.3415
3 O2x O 21.1221 -13.4984
4 C1y C 20.0683 -14.3415
5 C1y C 20.4898 -15.6763
6 N4y N 23.5107 -13.5687
7 C8y C 24.7050 -14.2712
8 N5x N 25.8993 -13.5687
9 C8y C 25.8993 -12.1636
10 N5x N 24.7050 -11.4610
11 C8x C 23.5107 -12.1636
12 O5x O 24.7050 -15.6763
13 N1a N 27.0936 -11.4610
14 C1b C 18.8037 -13.6389
15 O1a O 17.6094 -14.3415
16 O2b O 19.2955 -16.3788
17 P1b P 19.2955 -17.7839
18 O1c O 20.7005 -17.7839 #-
19 O1c O 17.8904 -17.7839
20 O2b O 19.2955 -19.1890
21 C1b C 18.0787 -19.8915
22 C1y C 16.8788 -19.1986
23 O2x O 16.8782 -17.7842
24 C1y C 15.5359 -17.3478
25 C1x C 14.7061 -18.4896
26 C1y C 15.5355 -19.6316
27 O1a O 15.1025 -20.9577
28 N4y N 15.1030 -16.0151
29 C8x C 15.9150 -14.8974
30 N5x N 15.1029 -13.7797
31 C8y C 13.7891 -14.2067
32 C8y C 13.7891 -15.5882
33 C8y C 12.5722 -13.5041
34 N5x N 11.3554 -14.2067
35 C8y C 11.3555 -15.5883
36 N4x N 12.5723 -16.2907
37 O5x O 12.5723 -12.0935
38 N1a N 10.1319 -16.2945
39 Z Na 22.8082 -19.8213 #+
BOND 42
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Up
7 6 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 6 11 1
13 7 12 2
14 9 13 1
15 4 14 1 #Up
16 14 15 1
17 5 16 1 #Down
18 16 17 1
19 17 18 1
20 17 19 2
21 17 20 1
22 20 21 1
23 22 21 1 #Down
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 22 26 1
29 26 27 1 #Up
30 24 28 1 #Down
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 28 32 1
36 31 33 1
37 33 34 1
38 34 35 2
39 35 36 1
40 32 36 1
41 33 37 2
42 35 38 1
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