ATOM 31
1 C8y C 29.3300 -20.3700
2 S2x S 28.8400 -19.0400
3 C8x C 27.4400 -19.0400
4 C8y C 27.0200 -20.3700
5 N5x N 28.1400 -21.1400
6 C5a C 25.7600 -21.0000
7 N1b N 24.5700 -20.3000
8 C1b C 23.3100 -21.0000
9 C1b C 22.1200 -20.3000
10 N1c N 20.9300 -21.0000
11 C1c C 19.6700 -20.3000
12 C1a C 18.4800 -21.0000
13 O5a O 25.7600 -22.4000
14 C1c C 20.9300 -22.4000
15 C1a C 19.6700 -23.1000
16 C1a C 22.1200 -23.1000
17 C1a C 19.6700 -18.9000
18 N1b N 30.8136 -20.9706
19 C5a C 31.9883 -20.3313
20 C8y C 33.1730 -21.0673
21 C8x C 33.1831 -22.4425
22 C8y C 34.3678 -23.1785
23 C8y C 35.6103 -22.5566
24 C8x C 35.6002 -21.1813
25 C8y C 34.4155 -20.4454
26 O5a O 31.9760 -18.9734
27 O1a O 34.4206 -19.0196
28 O2a O 36.7951 -23.2926
29 O2a O 34.3628 -24.6043
30 C1a C 33.1008 -25.3114
31 C1a C 37.9871 -22.5855
BOND 32
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 2
6 4 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 6 13 2
14 10 14 1
15 14 15 1
16 14 16 1
17 11 17 1
18 18 19 1
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 23 24 1
24 24 25 2
25 20 25 1
26 19 26 2
27 25 27 1
28 23 28 1
29 22 29 1
30 29 30 1
31 28 31 1
32 1 18 1
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