ATOM 81
1 Z Co 25.4366 -13.1047 #3+
2 N2x N 24.2476 -11.7035
3 N1y N 24.2476 -14.3612 #-
4 N2x N 26.9504 -11.7485
5 N2x N 26.9204 -14.3311
6 C1z C 23.0241 -11.8985
7 C2y C 24.4654 -10.4873
8 C1y C 23.0241 -14.1809
9 C2y C 24.4503 -15.5848
10 C2y C 26.6876 -10.5247
11 C2y C 28.1966 -11.7911
12 C2y C 26.7027 -15.5397
13 C2y C 28.1666 -14.1659
14 C1z C 22.4608 -10.7799
15 C1a C 21.8077 -12.2290
16 C1y C 23.3543 -9.9090
17 C2y C 25.5840 -10.0669
18 C1y C 22.4608 -15.2845
19 C1z C 23.3543 -16.1630
20 C2y C 25.5840 -16.0202
21 C1z C 27.7688 -9.9090
22 C1y C 28.6922 -10.7274
23 C2x C 28.6547 -13.0098
24 C1y C 27.7838 -16.1330
25 C1z C 28.6922 -15.2845
26 C1b C 19.6122 -10.7725
27 C1a C 22.1305 -9.5713
28 C1b C 23.3768 -8.6704
29 C1a C 25.5766 -8.8130
30 C1b C 21.1245 -15.4121
31 C1b C 22.9893 -18.3742
32 C1a C 24.2531 -18.9207
33 C1a C 25.5766 -17.2590
34 C1b C 27.7612 -8.6554
35 C1a C 26.3574 -7.5564
36 C1b C 29.9384 -10.7200
37 C1b C 27.9114 -17.3716
38 C1a C 29.8933 -14.9693
39 C1a C 29.1500 -16.4556
40 C1y C 22.0986 -27.2458
41 C5a C 19.0041 -9.6989
42 C1b C 22.3108 -8.0473
43 C5a C 20.6890 -16.5608
44 C1b C 21.7681 -18.7173
45 C5a C 28.8348 -8.0323
46 C1b C 30.5391 -9.6388
47 C1b C 29.3875 -17.7421
48 C1y C 21.7307 -26.0747
49 O2x O 21.0399 -27.8465
50 N1a N 17.7653 -9.6839
51 O5a O 19.6272 -8.6327
52 C5a C 22.3258 -6.8011
53 N1a N 19.4654 -16.7635
54 O5a O 21.4700 -17.5068
55 C5a C 21.7607 -19.9636
56 N1a N 28.8274 -6.7861
57 O5a O 29.9160 -8.6478
58 C5a C 31.7853 -9.6314
59 C5a C 29.7877 -19.1133
60 C1y C 20.4995 -26.0597
61 O1a O 22.4589 -25.0987
62 C1y C 20.1241 -27.2158
63 N1a N 21.2523 -6.1777
64 O5a O 23.4068 -6.1928
65 N1b N 20.6871 -20.5867
66 O5a O 22.8193 -20.5943
67 N1a N 32.4010 -8.5502
68 O5a O 32.4158 -10.7124
69 N1a N 28.7742 -19.8266
70 O5a O 30.9287 -19.6315
71 O2b O 19.7936 -25.0612
72 C1b C 18.8703 -27.6362
73 C1b C 20.6871 -21.8706
74 P1b P 18.4348 -24.4606
75 O1a O 18.6151 -28.9275
76 C1c C 19.5685 -22.5161
77 O2b O 19.5759 -23.8000
78 O1c O 17.2938 -23.8000 #-
79 O1c O 17.5039 -25.3915
80 C1a C 18.4649 -21.8706
81 O1a O 23.3110 -26.5458
BOND 86
1 1 3 1
2 2 6 1
3 2 7 2
4 3 8 1
5 3 9 1
6 4 10 1
7 4 11 2
8 5 12 2
9 5 13 1
10 6 14 1
11 6 15 1 #Down
12 7 16 1
13 7 17 1
14 8 18 1
15 9 19 1
16 9 20 2
17 10 21 1
18 11 22 1
19 11 23 1
20 12 24 1
21 13 25 1
22 14 26 1 #Up
23 14 27 1 #Down
24 16 28 1 #Down
25 17 29 1
26 18 30 1 #Up
27 19 31 1 #Down
28 19 32 1 #Up
29 20 33 1
30 21 34 1 #Up
31 21 35 1 #Down
32 22 36 1 #Down
33 24 37 1 #Down
34 25 38 1
35 25 39 1
36 26 41 1
37 28 42 1
38 30 43 1
39 31 44 1
40 34 45 1
41 36 46 1
42 37 47 1
43 40 48 1
44 40 49 1
45 41 50 1
46 41 51 2
47 42 52 1
48 43 53 1
49 43 54 2
50 44 55 1
51 45 56 1
52 45 57 2
53 46 58 1
54 47 59 1
55 48 60 1
56 48 61 1 #Up
57 62 49 1
58 52 63 1
59 52 64 2
60 55 65 1
61 55 66 2
62 58 67 1
63 58 68 2
64 59 69 1
65 59 70 2
66 60 71 1 #Up
67 62 72 1 #Down
68 65 73 1
69 71 74 1
70 72 75 1
71 73 76 1
72 74 77 1
73 74 78 1
74 74 79 2
75 76 80 1 #Down
76 6 8 1
77 10 17 2
78 12 20 1
79 13 23 2
80 14 16 1
81 18 19 1
82 21 22 1
83 24 25 1
84 60 62 1
85 76 77 1
86 40 81 1 #Up
| 
