ATOM 31
1 C1z C 30.2302 -20.0317
2 N1y N 29.4151 -21.1671
3 C1x C 29.3859 -18.9079
4 S2x S 30.9116 -21.2370
5 C5x C 31.6161 -20.0898
6 C1y C 28.0817 -20.7654
7 C5x C 29.9974 -22.4364
8 C1z C 28.0583 -19.3679
9 C1z C 31.3890 -22.5003
10 N1y N 32.1983 -21.4291
11 O5x O 32.3032 -18.9369
12 C1x C 26.7541 -21.2137
13 O5x O 29.2927 -23.6476
14 C1y C 26.7191 -18.9428
15 O1a O 28.0467 -17.9587
16 C1b C 32.0877 -23.7699
17 C1a C 33.5901 -21.4232
18 C1z C 25.9155 -20.0899
19 O7a O 26.7017 -17.5453
20 O1a O 33.4793 -23.7699
21 C5x C 25.1294 -18.9312
22 O2x O 25.0538 -21.1963
23 C7a C 27.4003 -16.3400
24 C1z C 23.7845 -19.3213
25 O5x O 25.4665 -17.5042
26 C1y C 23.8079 -20.7187
27 C1a C 28.7921 -16.3400
28 O6a O 26.3988 -15.3442
29 C1a C 22.7770 -18.0397
30 C1a C 22.3753 -19.3096
31 C1a C 22.7363 -21.7029
BOND 35
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 9 4 1 #Down
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 2
13 8 14 1
14 8 15 1 #Up
15 9 16 1
16 10 17 1
17 12 18 1
18 14 19 1 #Up
19 16 20 1
20 18 21 1 #Up
21 18 22 1 #Down
22 19 23 1
23 21 24 1
24 21 25 2
25 22 26 1
26 23 27 1
27 23 28 2
28 24 29 1
29 24 30 1
30 26 31 1 #Down
31 6 8 1
32 7 9 1
33 9 10 1
34 14 18 1
35 24 26 1
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