ATOM 28
1 C1c C 19.2250 -16.8287
2 C5a C 18.0085 -17.5330
3 N1b N 19.2250 -15.4318
4 C1b C 20.4299 -17.5330
5 N1b N 16.7980 -16.8287
6 O5a O 18.0085 -18.9356
7 C5a C 18.0085 -14.7333
8 O7a O 21.6406 -16.8287
9 R R 15.5874 -17.5330
10 O5a O 18.0085 -13.3364
11 R R 16.7980 -15.4318
12 C7a C 22.8424 -17.5000
13 C1b C 24.0549 -16.8000
14 C1b C 25.2673 -17.5000
15 C1b C 26.4797 -16.8000
16 C1b C 27.6922 -17.5000
17 C1b C 28.9046 -16.8000
18 C1b C 30.1170 -17.5000
19 C1b C 31.3295 -16.8000
20 C2b C 32.5419 -17.5000
21 O6a O 22.8523 -18.8996
22 C2b C 33.9419 -17.5000
23 C1b C 35.1624 -16.8000
24 C1b C 36.3749 -17.5000
25 C1b C 37.5873 -16.8000
26 C1b C 38.7997 -17.5000
27 C1b C 40.0122 -16.8000
28 C1a C 41.2453 -17.5122
BOND 27
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 12 21 2
21 20 22 2
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
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