ATOM 38
1 C1y C 32.5243 -15.6209
2 O2x O 33.7337 -16.3224
3 C1y C 32.5281 -14.2191
4 C1y C 34.9521 -15.6246
5 C1y C 33.7415 -13.5186
6 O1a O 31.3156 -13.5229
7 C1y C 34.9509 -14.2199
8 C6a C 36.1617 -16.3259
9 O1a O 33.7423 -12.1218
10 O1a O 36.1693 -13.5223
11 O6a O 36.1580 -17.7278
12 O6a O 37.3750 -15.6255
13 O7a O 31.2871 -16.2590
14 C8y C 24.0174 -16.2614
15 C8y C 24.0174 -17.6622
16 C8x C 25.2343 -18.3591
17 C8y C 25.2343 -15.5576
18 C8y C 26.4371 -16.2614
19 C8y C 26.4311 -17.6622
20 N4y N 27.6422 -18.3642
21 C8x C 28.8594 -17.6725
22 C8y C 28.8653 -16.2717
23 C8y C 27.6542 -15.5628
24 C1y C 27.6283 -19.7600
25 C7a C 30.0709 -15.5576
26 O6a O 30.1340 -14.1567
27 C1a C 25.2209 -14.1567
28 X F 22.7995 -15.5576
29 N1y N 22.7995 -18.3520
30 C1x C 21.5896 -17.6484
31 C1x C 20.3720 -18.3383
32 N1x N 20.3641 -19.7389
33 C1y C 21.5737 -20.4494
34 C1x C 22.7916 -19.7527
35 C1a C 21.5605 -21.8435
36 C1x C 26.9193 -20.9603
37 C1x C 28.3191 -20.9716
38 O5x O 27.6425 -14.1567
BOND 42
1 5 9 1 #Up
2 7 10 1 #Down
3 1 13 1 #Up
4 8 11 1
5 8 12 2
6 5 7 1
7 1 2 1
8 1 3 1
9 2 4 1
10 3 5 1
11 3 6 1 #Down
12 4 7 1
13 4 8 1 #Up
14 15 16 1
15 25 26 2
16 16 19 2
17 25 13 1
18 18 17 2
19 17 27 1
20 17 14 1
21 14 28 1
22 18 19 1
23 15 29 1
24 19 20 1
25 20 21 1
26 21 22 2
27 22 23 1
28 23 18 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 34 29 1
35 33 35 1
36 20 24 1
37 14 15 2
38 24 36 1
39 24 37 1
40 37 36 1
41 22 25 1
42 23 38 2
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