ATOM 26
1 C1z C 26.3028 -17.4830
2 C1z C 27.4623 -16.8245
3 C1y C 26.2854 -16.2825
4 C1y C 26.2970 -18.8172
5 C1x C 25.1491 -16.8128
6 C1z C 28.6161 -17.4946
7 C1x C 27.4740 -15.4843
8 O1a O 27.7306 -18.2872
9 C1y C 28.1502 -16.3292
10 N1y N 24.6130 -18.2753
11 C1z C 25.1491 -19.4932
12 C5x C 27.4506 -19.4932
13 C1x C 23.9779 -17.4830
14 C1x C 28.6161 -18.8289
15 C2x C 29.8457 -16.8361
16 C1y C 28.6394 -14.8258
17 C1x C 29.2280 -15.9679
18 C1y C 24.6130 -20.5187
19 C1x C 23.2728 -18.2753
20 C1x C 23.9779 -18.8172
21 C1a C 25.9012 -21.2010
22 O5x O 27.4392 -20.8334
23 C2y C 29.7873 -15.5076
24 O2x O 23.2728 -20.5071
25 C1x C 22.5968 -19.4349
26 C1a C 30.9976 -14.7828
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1 #Down
10 4 11 1
11 4 12 1
12 5 13 1
13 6 14 1
14 6 15 1
15 7 16 1
16 9 17 1
17 10 18 1
18 10 19 1
19 11 20 1 #Up
20 11 21 1 #Up
21 12 22 2
22 15 23 2
23 18 24 1
24 19 25 1
25 6 9 1 #Down
26 11 18 1
27 12 14 1
28 13 20 1
29 16 17 1 #Down
30 16 23 1
31 24 25 1
32 23 26 1
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