ATOM 50
1 C8y C 28.8219 -19.9908
2 C8y C 30.0422 -19.3136
3 C8y C 28.8686 -21.3920
4 C8y C 27.6192 -19.2844
5 C8y C 31.2390 -20.0318
6 C8y C 29.9954 -17.9183
7 C8x C 27.5900 -22.0869
8 C1y C 30.0012 -22.1160
9 C8y C 26.3989 -19.9734
10 O1a O 27.6775 -17.8775
11 C1y C 31.2214 -21.4271
12 C8x C 32.4591 -19.3603
13 C8y C 31.2915 -17.2410
14 O1a O 28.8453 -17.2119
15 C8y C 26.3872 -21.3687
16 O1a O 29.9895 -23.5172
17 C5x C 25.1846 -19.2670
18 O2a O 32.4300 -22.1277
19 C8y C 32.4884 -17.9650
20 C5a C 31.2798 -15.8340
21 C5x C 25.1729 -22.0752
22 C8y C 23.9644 -19.9617
23 O5x O 25.1729 -17.8598
24 C1y C 33.6385 -22.8224
25 C1a C 33.6969 -17.2468
26 N1b N 32.4941 -15.1275
27 O5a O 30.0596 -15.1334
28 C8y C 23.9585 -21.3629
29 O5x O 25.2253 -23.4764
30 C8x C 22.7501 -19.2611
31 C1y C 33.7026 -24.2236
32 O2x O 34.8528 -22.1336
33 C1c C 32.4884 -13.7322
34 C8y C 22.7501 -22.0693
35 C8y C 21.5299 -19.9617
36 C1y C 34.8354 -24.9242
37 O1a O 32.4183 -24.9125
38 C1y C 36.0556 -22.8400
39 C6a C 33.6969 -13.0257
40 C1a C 31.2739 -13.0316
41 C8x C 21.5299 -21.3629
42 O1a O 22.7384 -23.4764
43 O2a O 20.3096 -19.2611
44 C1y C 36.0497 -24.2353
45 O1a O 34.8237 -26.3197
46 C1a C 37.2582 -22.1277
47 O6a O 34.8996 -13.7263
48 O6a O 33.6853 -11.6304
49 C1a C 19.0952 -19.9558
50 N1a N 37.2525 -24.9301
BOND 55
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 1 #Up
16 9 17 1
17 11 18 1 #Down
18 12 19 2
19 13 20 1
20 15 21 1
21 17 22 1
22 17 23 2
23 24 18 1 #Down
24 19 25 1
25 20 26 1
26 20 27 2
27 21 28 1
28 21 29 2
29 22 30 1
30 24 31 1
31 24 32 1
32 26 33 1
33 28 34 1
34 30 35 2
35 31 36 1
36 31 37 1 #Up
37 32 38 1
38 33 39 1
39 33 40 1
40 34 41 2
41 34 42 1
42 35 43 1
43 36 44 1
44 36 45 1 #Down
45 38 46 1 #Down
46 39 47 1
47 39 48 2
48 43 49 1
49 44 50 1 #Down
50 8 11 1
51 9 15 2
52 13 19 1
53 22 28 2
54 35 41 1
55 38 44 1
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