ATOM 26
1 C8x C 20.7817 -18.1923
2 C8x C 21.3957 -19.4401
3 C8x C 22.7869 -19.5347
4 C8x C 21.5555 -17.0323
5 C8y C 22.9529 -17.1238
6 C8y C 23.5670 -18.3718
7 C1x C 25.0614 -14.0003
8 C1x C 23.9507 -14.7405
9 N1y N 26.2978 -14.6402
10 C1y C 26.3472 -16.0363
11 C1x C 27.5799 -16.6885
12 C2x C 27.4812 -13.8963
13 C2y C 28.7141 -14.5485
14 C1y C 28.6905 -15.9385
15 C2y C 29.9864 -16.5901
16 C2x C 31.1692 -15.8580
17 O2x O 31.1195 -14.4617
18 C1y C 29.8936 -13.8101
19 C1a C 29.8890 -12.4163
20 C7a C 29.9552 -18.0530
21 C8y C 25.1726 -16.7893
22 C8y C 23.9400 -16.1526
23 N4x N 24.9489 -18.1584
24 O7a O 31.1888 -18.8289
25 C1a C 31.2516 -20.2243
26 O6a O 28.7607 -18.6748
BOND 30
1 1 2 1
2 21 10 1
3 9 7 1
4 7 8 1
5 13 14 1
6 14 15 1
7 15 16 2
8 16 17 1
9 17 18 1
10 18 13 1
11 8 22 1
12 18 19 1 #Up
13 2 3 2
14 15 20 1
15 3 6 1
16 5 4 1
17 4 1 2
18 21 22 2
19 22 5 1
20 6 23 1
21 23 21 1
22 9 10 1
23 20 24 1
24 10 11 1
25 24 25 1
26 11 14 1
27 20 26 2
28 13 12 2
29 12 9 1
30 5 6 2
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