ATOM 46
1 C5x C 24.8965 -21.6337
2 N1x N 25.4824 -20.3667
3 C1x C 26.8407 -20.0252
4 C7x C 27.9453 -20.8693
5 C1y C 25.5354 -22.8896
6 C5x C 27.9842 -22.2713
7 N1x N 26.9077 -23.1685
8 C1y C 29.2156 -22.9374
9 N1x N 30.4081 -22.2041
10 C1y C 30.3692 -20.8021
11 O7x O 29.1379 -20.1359
12 C5x C 31.6395 -22.8702
13 C1y C 32.7621 -22.1369
14 C5x C 32.7932 -20.7348
15 C1y C 31.5618 -20.0687
16 N1x N 34.0634 -22.8030
17 C5x C 35.1860 -22.0696
18 C1y C 35.2171 -20.6676
19 N1y N 33.9857 -20.0015
20 O6a O 27.9453 -19.4693
21 O5x O 27.9842 -23.6713
22 O5x O 23.4965 -21.6337
23 C1c C 24.6929 -23.9970
24 C1a C 23.3226 -23.8225
25 O1a O 25.2411 -25.3053
26 C1b C 29.1854 -24.3585
27 O1a O 28.0657 -25.0905
28 O5x O 32.7932 -19.3348
29 O5x O 36.3984 -22.7696
30 O5x O 31.6395 -24.0602
31 C1c C 32.7621 -23.8869
32 C1a C 32.1198 -25.2392
33 C1b C 33.9745 -24.5869
34 C1a C 35.1755 -23.8932
35 C1b C 36.4298 -19.9630
36 C1c C 37.6161 -20.6436
37 C1a C 38.8043 -19.9532
38 C1a C 37.6201 -22.0497
39 C1a C 33.9857 -18.6015
40 C1a C 31.5618 -18.6687
41 C1b C 30.3692 -19.4021
42 C1b C 29.1503 -18.7207
43 C1b C 29.1503 -17.3207
44 C1b C 27.9016 -16.6004
45 C1b C 27.9016 -15.2004
46 C1a C 26.7063 -14.5100
BOND 46
1 3 4 1
2 1 5 1
3 2 3 1
4 5 7 1
5 1 2 1
6 6 7 1
7 6 8 1
8 8 9 1
9 10 11 1
10 4 11 1
11 9 12 1
12 12 13 1
13 14 15 1
14 10 15 1
15 13 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 14 19 1
20 4 20 2
21 6 21 2
22 1 22 2
23 5 23 1
24 23 24 1
25 23 25 1
26 8 26 1
27 26 27 1
28 14 28 2
29 17 29 2
30 12 30 2
31 13 31 1
32 31 32 1
33 31 33 1
34 33 34 1
35 18 35 1
36 35 36 1
37 36 37 1
38 36 38 1
39 19 39 1
40 15 40 1
41 10 41 1
42 41 42 1
43 42 43 1
44 43 44 1
45 44 45 1
46 45 46 1
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