ATOM 29
1 C1y C 29.0018 -17.0804
2 C1y C 30.2129 -17.7845
3 C1y C 31.4257 -17.0832
4 C1y C 31.4272 -15.6849
5 C1y C 30.2163 -14.9879
6 C1y C 29.0035 -15.6820
7 C1y C 24.1578 -18.4885
8 C1y C 24.1578 -19.8897
9 C1y C 25.3750 -20.5938
10 C1y C 26.5852 -19.8897
11 C1y C 26.5852 -18.4885
12 O2x O 25.3750 -17.7914
13 O2a O 27.7931 -17.7924
14 N1b N 27.7931 -20.5928
15 O1a O 22.9437 -20.5943
16 C1b C 22.9437 -17.7909
17 O1a O 25.3768 -21.9948
18 O1a O 21.7216 -18.4745
19 O1a O 30.2180 -13.5869
20 O1a O 32.6391 -17.7887
21 O1a O 30.2112 -19.1855
22 O1a O 27.7901 -14.9837
23 O1a O 32.6425 -14.9894
24 C5a C 27.7838 -21.9879
25 C1c C 28.9949 -22.6849
26 N1a N 30.2100 -21.9892
27 C1b C 28.9932 -24.0860
28 O5a O 26.5737 -22.6802
29 S1a S 27.7779 -24.7886
BOND 30
1 7 16 1 #Up
2 3 4 1
3 9 17 1 #Up
4 4 5 1
5 16 18 1
6 1 13 1 #Up
7 5 6 1
8 5 19 1 #Up
9 7 8 1
10 3 20 1 #Up
11 8 9 1
12 2 21 1 #Up
13 9 10 1
14 6 22 1 #Down
15 10 11 1
16 4 23 1 #Down
17 11 12 1
18 14 24 1
19 12 7 1
20 24 25 1
21 6 1 1
22 25 26 1 #Up
23 11 13 1 #Down
24 25 27 1
25 10 14 1 #Down
26 1 2 1
27 8 15 1 #Down
28 24 28 2
29 2 3 1
30 27 29 1
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