ATOM 33
1 C1x C 13.8899 -18.6432
2 C1z C 13.8899 -20.0401
3 C1y C 15.0996 -20.7386
4 C1y C 16.3093 -20.0401
5 C1y C 16.3093 -18.6432
6 O2x O 15.0996 -17.9448
7 O2a O 17.5377 -17.9339
8 C1y C 18.7474 -17.2354
9 C1y C 19.9855 -17.9503
10 C1x C 21.1952 -17.2520
11 C1y C 21.1954 -15.8551
12 C1y C 19.9575 -15.1402
13 C1y C 18.7476 -15.8385
14 O1a O 17.5377 -20.7496
15 C1a C 13.5284 -21.3893
16 O1a O 12.4930 -20.0401
17 N1b N 15.0996 -22.1353
18 C1a C 13.8732 -22.8435
19 N1a N 19.9853 -19.3416
20 O1a O 17.5663 -15.1561
21 N1a N 22.4286 -15.1431
22 O2a O 19.9577 -13.7542
23 C1y C 21.1740 -13.0522
24 O2x O 22.3698 -13.7430
25 C1y C 23.5797 -13.0449
26 C1y C 23.5800 -11.6481
27 C1y C 22.3842 -10.9572
28 C1y C 21.1743 -11.6553
29 C4a C 24.8079 -13.7543
30 O4a O 24.8076 -15.1508
31 N1a N 19.9510 -10.9485
32 O1a O 22.3848 -9.5877
33 O1a O 24.8060 -10.9410
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Down
8 8 7 1 #Down
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 4 14 1 #Down
16 2 15 1 #Down
17 2 16 1 #Up
18 3 17 1 #Up
19 17 18 1
20 9 19 1 #Up
21 13 20 1 #Up
22 11 21 1 #Up
23 12 22 1 #Down
24 23 22 1 #Down
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 23 28 1
31 25 29 1 #Up
32 29 30 2
33 28 31 1 #Down
34 27 32 1 #Up
35 26 33 1 #Down
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