ATOM 30
1 P1b P 16.8624 -21.6685
2 O2b O 16.8559 -20.2841
3 O1c O 18.2722 -21.6685
4 O1c O 15.4780 -21.7320
5 O1c O 16.8624 -23.0592
6 C1y C 16.8559 -18.8997
7 C1y C 15.6565 -18.1916
8 C1y C 18.0745 -18.1916
9 C1y C 15.6565 -16.7880
10 O1a O 14.4509 -18.8806
11 C1y C 18.0745 -16.7880
12 O1a O 19.2676 -18.8806
13 C1y C 16.8559 -16.0990
14 O1a O 19.3760 -16.0226
15 O1a O 16.8559 -14.7083
16 O2a O 13.3126 -15.9037
17 C1y C 11.3607 -16.5732
18 C1y C 11.3607 -17.9473
19 O2x O 10.1730 -15.9037
20 C1y C 10.1730 -18.6227
21 N1b N 12.7988 -19.0885
22 C1y C 8.9911 -16.5732
23 C1y C 8.9911 -17.9473
24 O1a O 10.1730 -19.9851
25 C5a C 13.2123 -20.3112
26 C1b C 7.8323 -15.9037
27 O1a O 7.8323 -18.6227
28 C1a C 14.5572 -20.4800
29 O5a O 12.3738 -21.3884
30 O1a O 6.7902 -16.7770
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 6 2 1 #Up
6 6 7 1
7 6 8 1
8 7 9 1
9 7 10 1 #Up
10 8 11 1
11 8 12 1 #Down
12 9 13 1
13 11 14 1 #Up
14 13 15 1 #Down
15 11 13 1
16 17 16 1 #Down
17 17 18 1
18 17 19 1
19 18 20 1
20 18 21 1 #Down
21 19 22 1
22 20 23 1
23 20 24 1 #Up
24 21 25 1
25 22 26 1 #Up
26 23 27 1 #Down
27 25 28 1
28 25 29 2
29 26 30 1
30 22 23 1
31 9 16 1 #Up
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