ATOM 30
1 C1z C 18.2145 -15.6628
2 C1z C 19.3758 -16.3662
3 C1y C 17.0239 -16.3314
4 C8y C 18.2204 -14.3038
5 C1x C 19.3933 -14.9838
6 C1y C 20.5792 -15.6919
7 C1x C 19.3585 -17.7254
8 C2x C 18.8200 -17.3929
9 C1z C 17.0064 -17.6905
10 O2x O 16.3450 -14.7922
11 C8y C 17.0412 -13.6192
12 C8y C 19.4050 -13.6365
13 C1x C 21.7405 -14.9434
14 N1y N 21.7522 -16.3836
15 C1x C 20.5967 -14.3270
16 C1y C 18.1738 -18.3869
17 C2x C 17.6353 -16.7650
18 O2a O 15.6357 -17.6789
19 C8y C 16.9832 -12.2483
20 C8x C 19.4166 -12.2658
21 C1a C 22.9370 -15.7036
22 C1d C 18.2202 -19.7458
23 C1a C 14.3818 -18.6426
24 C8x C 18.2436 -11.5682
25 O1a O 15.8625 -11.5507
26 C1b C 19.3177 -20.4494
27 O1a O 16.9541 -20.4144
28 C1a C 16.9541 -19.0613
29 C1b C 20.5152 -19.7634
30 C1a C 21.7104 -20.4630
BOND 35
1 1 3 1
2 1 4 1
3 1 5 1 #Up
4 2 6 1
5 2 7 1
6 2 8 1 #Down
7 3 9 1
8 3 10 1 #Down
9 4 11 1
10 4 12 2
11 5 13 1
12 6 14 1 #Up
13 6 15 1
14 7 16 1
15 8 17 2
16 9 18 1
17 11 19 2
18 12 20 1
19 14 21 1
20 16 22 1
21 18 23 1
22 19 24 1
23 19 25 1
24 22 26 1
25 22 27 1 #Up
26 22 28 1 #Down
27 26 29 1
28 9 16 1
29 9 17 1 #Down
30 10 11 1
31 12 15 1
32 14 13 1 #Up
33 20 24 2
34 29 30 1
35 1 2 1
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