ATOM 50
1 C1b C 12.4432 -17.4181
2 C1b C 13.6401 -16.7270
3 C1c C 14.8372 -17.4181
4 C1c C 16.0342 -16.7270
5 C1c C 17.2311 -17.4181
6 C1b C 18.4282 -16.7270
7 C1c C 19.6252 -17.4181
8 C1b C 20.8221 -16.7270
9 C1c C 22.0192 -17.4181
10 C1b C 23.2162 -16.7270
11 C1b C 24.4132 -17.4181
12 C1b C 25.6102 -16.7270
13 C1b C 26.8072 -17.4181
14 C1c C 28.0042 -16.7270
15 C1b C 29.2012 -17.4181
16 C1c C 30.3982 -16.7270
17 C1c C 31.5952 -17.4181
18 C1a C 32.7922 -16.7270
19 N1a N 31.5952 -18.8003
20 O1a O 30.3982 -15.3450
21 O1a O 28.0042 -15.3449
22 O1a O 22.0192 -18.8000
23 C1a C 19.6252 -18.8003
24 O7a O 17.2311 -20.1133
25 O7a O 16.0342 -15.3449
26 C1a C 14.8372 -18.8001
27 C1b C 11.2462 -16.7270
28 C1a C 10.0659 -17.4086
29 C7a C 16.0147 -20.8045
30 C1b C 14.8177 -20.1134
31 C1c C 13.6207 -20.8045
32 C1b C 12.4237 -20.1134
33 C6a C 11.2267 -20.8045
34 C7a C 14.8392 -14.6550
35 C1b C 13.6599 -15.3360
36 C1c C 12.4872 -14.6589
37 C1b C 11.3114 -15.3379
38 C6a C 10.1369 -14.6600
39 O6a O 16.0099 -22.1863
40 C6a C 13.6207 -22.1866
41 O6a O 12.4217 -22.8789
42 O6a O 14.8157 -22.8765
43 O6a O 10.0093 -20.1013
44 O6a O 11.2266 -21.9790
45 O6a O 14.8391 -13.2718
46 C6a C 12.4870 -13.2718
47 O6a O 11.3089 -12.5916
48 O6a O 13.7029 -12.5695
49 O6a O 8.9620 -15.3386
50 O6a O 10.1366 -13.4100
BOND 49
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 17 19 1 #Down
19 16 20 1 #Down
20 14 21 1 #Up
21 9 22 1 #Up
22 7 23 1 #Down
23 5 24 1 #Down
24 4 25 1 #Up
25 3 26 1 #Down
26 1 27 1
27 27 28 1
28 24 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 25 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 29 39 2
39 31 40 1 #Up
40 40 41 1
41 40 42 2
42 33 43 1
43 33 44 2
44 34 45 2
45 36 46 1 #Down
46 46 47 1
47 46 48 2
48 38 49 1
49 38 50 2
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