ATOM 33
1 C1y C 25.4499 -17.4525
2 O2x O 24.2614 -16.7664
3 C1y C 25.4507 -18.8248
4 C1y C 23.0756 -17.4569
5 C1y C 24.2629 -19.5110
6 O1a O 26.6422 -19.4986
7 C1y C 23.0816 -18.8321
8 C6a C 21.8870 -16.7709
9 O1a O 24.2668 -20.8852
10 O1a O 21.8887 -19.5154
11 O6a O 21.8862 -15.3987
12 O6a O 20.6992 -17.4642
13 O2a O 27.1778 -16.5461
14 C8y C 28.8701 -18.8933
15 C8y C 28.8701 -17.5293
16 C8y C 30.0567 -16.8436
17 C8y C 30.0567 -19.5719
18 C8y C 31.2362 -18.8933
19 C8y C 31.2304 -17.5259
20 S2x S 32.5276 -17.0937
21 C8y C 33.3354 -18.1972
22 N5x N 32.5369 -19.3073
23 N1b N 34.6996 -18.1914
24 C1a C 35.3802 -17.0046
25 C1a C 30.0584 -15.4794
26 C1a C 27.6867 -19.5726
27 C1b C 30.0585 -20.9361
28 C8y C 31.2431 -21.6202
29 C8x C 31.2392 -22.9783
30 N5x N 32.4167 -23.6625
31 C8x C 33.5995 -22.9753
32 C8x C 33.5978 -21.6111
33 C8x C 32.4131 -20.9271
BOND 36
1 2 4 1
2 3 5 1
3 3 6 1 #Down
4 4 7 1
5 4 8 1 #Up
6 14 15 1
7 15 16 2
8 16 19 1
9 18 17 1
10 18 19 2
11 19 20 1
12 20 21 1
13 21 22 2
14 22 18 1
15 17 14 2
16 21 23 1
17 23 24 1
18 5 9 1 #Up
19 16 25 1
20 15 13 1
21 7 10 1 #Down
22 14 26 1
23 1 13 1 #Up
24 17 27 1
25 27 28 1
26 8 11 1
27 8 12 2
28 5 7 1
29 1 2 1
30 1 3 1
31 28 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 33 28 1
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