ATOM 26
1 C8x C 20.7662 -18.1089
2 C8x C 21.3591 -19.3670
3 C8x C 22.7486 -19.4850
4 C8x C 21.5595 -16.9621
5 C8y C 22.9553 -17.0771
6 C8y C 23.5483 -18.3353
7 C1x C 25.1162 -13.9895
8 C1x C 23.9231 -14.7097
9 N1y N 26.3416 -14.6502
10 C1y C 26.2976 -16.0469
11 C1x C 27.5891 -16.7198
12 C1x C 27.5374 -13.9263
13 C1y C 28.7592 -14.5992
14 C1y C 28.7822 -15.9899
15 C2y C 29.9970 -16.6620
16 C2x C 31.1220 -15.9499
17 O2x O 31.1658 -14.5529
18 C1y C 29.9510 -13.8808
19 C1a C 30.0412 -12.4158
20 C7a C 30.0112 -18.1254
21 C8y C 25.1803 -16.7801
22 C8y C 23.9587 -16.1227
23 N4x N 24.9336 -18.1452
24 O7a O 31.1615 -18.9208
25 C1a C 31.1308 -20.3148
26 O6a O 28.7363 -18.7259
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 1
29 12 9 1
30 5 6 2
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