ATOM 28
1 C1z C 19.0972 -14.9767
2 C1y C 19.8609 -16.0427
3 C1y C 19.7110 -13.7789
4 C8y C 17.8389 -15.3777
5 C1x C 17.7015 -14.3283
6 C1y C 21.1741 -16.0617
7 N1y N 19.0862 -17.1031
8 N1y N 18.8773 -12.5674
9 C1x C 21.0188 -13.7925
10 C8y C 17.8333 -16.6965
11 C8x C 16.7069 -14.7185
12 C1x C 17.5586 -12.7074
13 C1y C 21.7125 -14.7239
14 C1y C 21.7785 -17.0921
15 C5x C 19.6136 -18.3009
16 C1x C 22.3225 -13.2459
17 C8x C 16.7069 -17.3504
18 C8y C 15.5641 -15.3777
19 C2y C 22.9873 -14.3943
20 C1x C 20.9158 -18.4382
21 O2x O 23.0642 -17.3448
22 O5x O 18.8389 -19.3613
23 C8y C 15.5641 -16.6910
24 C2x C 24.0369 -15.1800
25 C1x C 24.0697 -16.4931
26 O2a O 14.3438 -14.6726
27 C1a C 13.1241 -15.3761
28 O1a O 14.3476 -17.3937
BOND 34
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 3 8 1 #Up
8 3 9 1
9 4 10 1
10 4 11 2
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 1
16 10 17 2
17 11 18 1
18 13 19 1
19 14 20 1
20 14 21 1
21 15 22 2
22 17 23 1
23 19 24 2
24 21 25 1
25 7 10 1
26 8 12 1
27 9 13 1
28 15 20 1
29 16 19 1
30 18 23 2
31 24 25 1
32 18 26 1
33 26 27 1
34 23 28 1
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