ATOM 49
1 C1c C 5.3583 -16.8705
2 C5a C 4.1443 -17.5736
3 N1b N 5.3583 -15.4764
4 C1b C 6.5611 -17.5736
5 N1b N 2.9359 -16.8705
6 O5a O 4.1443 -18.9738
7 C5a C 4.1443 -14.7792
8 S2a S 7.7695 -16.8705
9 R R 1.7275 -17.5736
10 O5a O 4.1443 -13.3848
11 R R 2.9359 -15.4764
12 C5a C 8.9696 -17.5410
13 C1c C 10.1798 -16.8423
14 C1b C 11.3900 -17.5410
15 C1c C 12.6003 -16.8423
16 C1b C 13.8105 -17.5410
17 C1c C 15.0208 -16.8423
18 C1b C 16.2308 -17.5410
19 C1c C 17.4410 -16.8423
20 C1b C 18.6513 -17.5410
21 C1c C 19.8615 -16.8423
22 C1b C 21.0718 -17.5410
23 C1c C 22.2820 -16.8423
24 C1b C 23.4922 -17.5410
25 C1c C 24.7025 -16.8423
26 C1b C 25.9126 -17.5410
27 C1b C 27.1228 -16.8423
28 O5a O 8.9696 -18.9386
29 C1a C 10.1798 -15.4323
30 C1a C 12.6000 -15.4326
31 C1a C 15.0210 -15.4324
32 C1a C 17.4409 -15.4323
33 C1a C 19.8612 -15.4326
34 C1a C 22.2821 -15.4324
35 C1a C 24.7024 -15.4323
36 C1b C 28.3626 -17.5271
37 C1b C 29.5722 -16.8288
38 C1b C 30.7816 -17.5271
39 C1b C 31.9911 -16.8288
40 C1b C 33.2006 -17.5271
41 C1b C 34.4100 -16.8288
42 C1b C 35.6195 -17.5271
43 C1b C 36.8290 -16.8288
44 C1b C 38.0688 -17.5271
45 C1b C 39.2783 -16.8288
46 C1b C 40.4878 -17.5271
47 C1b C 41.6972 -16.8288
48 C1b C 42.9068 -17.5271
49 C1a C 44.1369 -16.8166
BOND 48
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 7 10 2
10 7 11 1
11 8 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 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 12 28 2
28 13 29 1 #Up
29 15 30 1 #Up
30 17 31 1 #Up
31 19 32 1 #Up
32 21 33 1 #Up
33 23 34 1 #Up
34 25 35 1 #Up
35 27 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 46 47 1
47 47 48 1
48 48 49 1
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