ATOM 40
1 C8y C 27.7008 -17.0718
2 C8y C 28.8935 -17.7735
3 C8y C 26.5023 -17.7443
4 O2a O 27.7242 -14.9144
5 C8x C 28.8760 -19.1592
6 C1b C 30.0920 -17.0952
7 C8x C 26.5489 -19.1241
8 C1b C 25.3094 -17.0427
9 C1y C 26.5197 -14.2362
10 C8y C 27.6657 -19.8315
11 C2b C 30.1037 -15.7154
12 C2b C 24.1051 -17.7209
13 O2x O 26.5197 -12.8506
14 C1y C 25.3154 -14.9261
15 C7a C 27.6540 -21.2113
16 C2c C 31.3023 -15.0372
17 C2c C 24.0934 -19.1007
18 C1y C 25.3211 -12.1548
19 C1y C 24.1168 -14.2305
20 O1a O 25.3271 -16.3060
21 O7a O 26.4555 -21.8895
22 O6a O 28.8467 -21.9246
23 C1a C 31.3199 -13.6574
24 C1a C 32.4892 -15.7505
25 C1a C 22.8889 -19.7789
26 C1a C 25.2803 -19.8140
27 C1y C 24.1168 -12.8447
28 C1b C 25.3271 -10.7750
29 O1a O 22.9123 -14.9204
30 C1b C 25.0697 -21.8838
31 O1a O 22.9182 -12.1490
32 O1a O 24.1285 -10.0793
33 C1y C 24.3740 -23.0764
34 C1y C 23.0702 -23.5266
35 C1x C 25.2043 -24.1873
36 N1y N 23.0878 -24.9006
37 C1x C 21.7548 -23.1057
38 C1x C 24.4032 -25.3099
39 C1x C 21.7782 -25.3333
40 C1x C 20.9538 -24.2282
BOND 43
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 9 4 1 #Up
9 5 10 2
10 6 11 1
11 8 12 1
12 9 13 1
13 9 14 1
14 10 15 1
15 11 16 2
16 12 17 2
17 13 18 1
18 14 19 1
19 14 20 1 #Down
20 15 21 1
21 15 22 2
22 16 23 1
23 16 24 1
24 17 25 1
25 17 26 1
26 18 27 1
27 18 28 1 #Up
28 19 29 1 #Up
29 21 30 1
30 27 31 1 #Down
31 28 32 1
32 33 30 1 #Up
33 33 34 1
34 33 35 1
35 34 36 1
36 34 37 1
37 35 38 1
38 36 39 1
39 37 40 1
40 7 10 1
41 19 27 1
42 36 38 1
43 39 40 1
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