ATOM 31
1 C8y C 30.3501 -17.3612
2 C8x C 30.4130 -18.7594
3 C8y C 31.5504 -19.4646
4 C8y C 32.7649 -18.7716
5 C8y C 32.7718 -17.3734
6 C8x C 31.5646 -16.6681
7 C1x C 18.2393 -15.9489
8 C1x C 18.2393 -17.3471
9 C5x C 19.4532 -18.0462
10 C1x C 19.4532 -15.2498
11 C1y C 20.6599 -15.9489
12 N1y N 20.6538 -17.3471
13 C1x C 21.8617 -18.0513
14 C1y C 23.0757 -17.3574
15 C1x C 23.0816 -15.9592
16 C1y C 21.8737 -15.2550
17 C1x C 23.0765 -14.5435
18 N1y N 24.2912 -15.2286
19 C1y C 24.2771 -16.6480
20 C1x C 25.4992 -17.3700
21 C1y C 26.7356 -16.6724
22 C1x C 26.7497 -15.2530
23 C1x C 25.5275 -14.5312
24 O5x O 19.4398 -19.4444
25 O7a O 27.9421 -17.3683
26 C7a C 29.1497 -16.6692
27 O6a O 29.1426 -15.2709
28 O1a O 31.5365 -20.8567
29 O1a O 33.9728 -16.6620
30 O2a O 33.9657 -19.4656
31 C1a C 35.1732 -18.7736
BOND 35
1 16 11 1
2 3 4 1
3 16 17 1
4 14 19 1
5 17 18 1
6 7 8 1
7 8 9 1
8 9 12 1
9 11 10 1
10 10 7 1
11 4 5 2
12 18 19 1
13 19 20 1
14 20 21 1
15 21 22 1
16 22 23 1
17 23 18 1
18 5 6 1
19 6 1 2
20 9 24 2
21 21 25 1 #Down
22 1 2 1
23 2 3 2
24 25 26 1
25 26 1 1
26 11 12 1
27 26 27 2
28 12 13 1
29 3 28 1
30 13 14 1
31 5 29 1
32 14 15 1 #Up
33 4 30 1
34 16 15 1 #Up
35 30 31 1
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