ATOM 40
1 O1a O 22.7419 -19.1791
2 C8x C 21.5618 -21.2148
3 C8x C 21.5618 -22.5703
4 C8y C 22.7401 -23.2409
5 C8y C 22.7401 -20.5371
6 C8y C 23.9110 -21.2148
7 C8y C 23.9051 -22.5703
8 C5x C 25.0702 -23.2461
9 C5x C 25.0823 -20.5423
10 C8y C 26.2546 -21.2182
11 C8y C 26.2419 -22.5769
12 C8y C 27.4077 -23.2568
13 C8x C 28.5790 -22.5918
14 O5x O 25.0882 -19.1798
15 O5x O 25.0675 -24.6014
16 O1a O 22.7434 -24.5963
17 O1a O 27.4650 -24.6121
18 C8y C 27.4330 -20.5532
19 C8y C 28.5853 -21.2426
20 C1y C 28.6276 -18.5529
21 N1x N 27.4506 -19.2047
22 C1y C 30.9117 -21.2702
23 C2y C 32.0801 -20.6172
24 C2y C 32.0391 -19.2803
25 C1y C 30.9554 -18.5893
26 C1z C 29.7581 -20.5793
27 C1z C 29.7757 -19.2430
28 O2x O 28.5880 -19.9066
29 C1a C 31.8416 -17.2735
30 C6a C 33.2773 -18.6271
31 O6a O 34.4310 -19.3182
32 O6a O 33.2293 -17.2830
33 O2a O 33.2336 -21.3082
34 C1a C 34.4091 -20.6621
35 C0 C 28.6466 -17.2078
36 C0 C 28.6356 -15.8566
37 C2x C 28.6286 -14.5011
38 C0 C 30.4429 -17.7062
39 C0 C 30.2170 -16.3720
40 C2x C 30.0193 -15.0446
BOND 46
1 6 7 2
2 18 19 2
3 19 26 1
4 27 20 1
5 20 21 1
6 21 18 1
7 7 8 1
8 8 11 1
9 10 9 1
10 9 6 1
11 26 22 1
12 22 23 1
13 23 24 2
14 24 25 1
15 25 27 1
16 10 11 2
17 11 12 1
18 12 13 2
19 26 27 1
20 26 28 1 #Down
21 27 28 1 #Down
22 13 19 1
23 25 29 1 #Up
24 18 10 1
25 24 30 1
26 9 14 2
27 30 31 1
28 8 15 2
29 30 32 2
30 4 16 1
31 23 33 1
32 12 17 1
33 33 34 1
34 5 1 1
35 2 3 1
36 20 35 1
37 3 4 2
38 35 36 3
39 4 7 1
40 36 37 1
41 22 38 1
42 6 5 1
43 38 39 3
44 5 2 2
45 39 40 1
46 37 40 2
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