ATOM 27
1 C1y C 24.8798 -12.7644
2 C8y C 23.6694 -13.4611
3 C1y C 26.0972 -13.4872
4 C1y C 24.8334 -11.3710
5 C8y C 23.6433 -14.8569
6 C8x C 22.4544 -12.7406
7 C8y C 27.3076 -12.8024
8 N1y N 26.0853 -14.8925
9 C1x C 26.1233 -10.6861
10 C1x C 24.8607 -15.5797
11 C8x C 21.2321 -13.4492
12 C8y C 27.3312 -11.3995
13 C8x C 28.5012 -13.5133
14 C1a C 27.3027 -15.5917
15 C8x C 28.5394 -10.7241
16 C8y C 29.7188 -12.8190
17 C8y C 29.7424 -11.4232
18 O2x O 31.0337 -13.2757
19 O2x O 31.0718 -11.0238
20 C1x C 31.8754 -12.1604
21 C8y C 22.4290 -15.5714
22 C8y C 21.2202 -14.8545
23 O1a O 23.7020 -10.6539
24 O2a O 22.4266 -16.9706
25 C1a C 21.2136 -17.6680
26 O2a O 20.0015 -15.5417
27 C1a C 18.7969 -14.8301
BOND 31
1 6 11 2
2 7 12 1
3 7 13 2
4 8 14 1
5 12 15 2
6 13 16 1
7 15 17 1
8 16 18 1
9 17 19 1
10 18 20 1
11 8 10 1
12 9 12 1
13 11 22 1
14 16 17 2
15 19 20 1
16 1 2 1
17 1 3 1
18 1 4 1
19 2 5 2
20 21 22 2
21 4 23 1 #Up
22 2 6 1
23 21 24 1
24 3 7 1
25 24 25 1
26 3 8 1
27 22 26 1
28 4 9 1
29 26 27 1
30 5 21 1
31 5 10 1
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