ATOM 50
1 C8y C 29.6893 -17.5406
2 C8y C 29.7010 -16.1479
3 N2y N 31.0121 -17.9776 #+
4 C8x C 28.4715 -18.2222
5 C1x C 31.0295 -15.7169
6 C8x C 28.5006 -15.4370
7 C1y C 31.8453 -16.8530
8 C2b C 31.0121 -19.3817
9 C8y C 27.2771 -17.5173
10 C8y C 27.2887 -16.1246
11 C6a C 33.2435 -16.8471
12 C2b C 32.2239 -20.0868
13 O1a O 26.0593 -18.1989
14 O2a O 26.0885 -15.4080
15 O6a O 33.9427 -15.6352
16 O6a O 33.9427 -18.0649 #-
17 C2y C 32.2239 -21.4910
18 C1y C 26.0943 -14.0096
19 C1x C 31.0061 -22.1845
20 C2x C 33.4358 -22.1845
21 C1y C 24.8765 -13.3103
22 O2x O 27.3004 -13.3103
23 C1y C 31.0061 -23.5886
24 C2y C 33.4358 -23.5886
25 O2a O 23.6587 -14.0155
26 C1y C 24.8765 -11.9178
27 C1y C 27.3004 -11.9119
28 N1x N 32.2239 -24.2936
29 C6a C 29.7943 -24.2936
30 C6a C 34.6479 -24.2936
31 C1y C 22.4468 -14.7147
32 C1y C 26.0885 -11.2070
33 O1a O 23.6587 -11.2127
34 C1b C 28.5123 -11.2070
35 O6a O 28.5765 -23.5886
36 O6a O 29.7943 -25.6920
37 O6a O 34.6479 -25.6920
38 O6a O 35.8656 -23.5886
39 O2x O 21.2348 -14.0155
40 C1y C 22.4468 -16.1188
41 O1a O 26.0885 -9.8145
42 O1a O 28.5065 -9.8085
43 C1y C 20.0171 -14.7147
44 C1y C 21.2348 -16.8121
45 O1a O 23.6587 -16.8121
46 C1y C 20.0171 -16.1188
47 C1b C 18.8051 -14.0096
48 O1a O 21.2348 -18.2165
49 O1a O 18.8051 -16.8181
50 O1a O 17.5873 -14.7147
BOND 54
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 6 10 2
10 7 11 1 #Up
11 8 12 1
12 9 13 1
13 10 14 1
14 11 15 2
15 11 16 1
16 12 17 2
17 18 14 1 #Up
18 17 19 1
19 17 20 1
20 18 21 1
21 18 22 1
22 19 23 1
23 20 24 2
24 21 25 1 #Down
25 21 26 1
26 22 27 1
27 23 28 1
28 23 29 1 #Down
29 24 30 1
30 31 25 1 #Up
31 26 32 1
32 26 33 1 #Up
33 27 34 1 #Up
34 29 35 1
35 29 36 2
36 30 37 1
37 30 38 2
38 31 39 1
39 31 40 1
40 32 41 1 #Down
41 34 42 1
42 39 43 1
43 40 44 1
44 40 45 1 #Down
45 43 46 1
46 43 47 1 #Up
47 44 48 1 #Up
48 46 49 1 #Down
49 47 50 1
50 5 7 1
51 9 10 1
52 24 28 1
53 27 32 1
54 44 46 1
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