ATOM 37
1 C8y C 23.5085 -17.1101
2 C8y C 23.5027 -18.5160
3 C8y C 22.2951 -16.4041
4 C5x C 24.7278 -16.4100
5 C5x C 24.7161 -19.2161
6 C8x C 22.2951 -19.2102
7 C8y C 21.0874 -17.1101
8 O2a O 22.3008 -15.0039
9 C8y C 25.9413 -17.1218
10 O5x O 24.7337 -15.0098
11 C8y C 25.9996 -18.5217
12 O5x O 24.7161 -20.6220
13 C8y C 21.0874 -18.5160
14 O2a O 19.8681 -16.4041
15 C1a C 21.0934 -14.3038
16 C8y C 27.1606 -16.4274
17 C8x C 27.1373 -19.2277
18 O2a O 19.8681 -19.2102
19 C1a C 18.6548 -17.1101
20 C8y C 28.3683 -17.1449
21 O2a O 27.1723 -15.0273
22 C8y C 28.3507 -18.5451
23 C1a C 18.6548 -18.5160
24 O2a O 29.5840 -16.4479
25 C1a C 29.5640 -19.2511
26 C1y C 30.7933 -17.1649
27 O2x O 30.7759 -18.5686
28 C1y C 32.0101 -16.4723
29 C1y C 31.9834 -19.2777
30 C1y C 33.2226 -17.1843
31 O1a O 32.0774 -15.1350
32 C1y C 33.2803 -18.5909
33 C1b C 31.9737 -20.6793
34 O1a O 34.4496 -16.4975
35 O1a O 34.4145 -19.3049
36 C1a C 28.3869 -14.3395
37 O1a O 33.1778 -21.3855
BOND 40
1 1 3 1
2 1 4 1
3 2 5 1
4 2 6 1
5 3 7 2
6 3 8 1
7 4 9 1
8 4 10 2
9 5 11 1
10 5 12 2
11 6 13 2
12 7 14 1
13 8 15 1
14 9 16 1
15 11 17 1
16 13 18 1
17 14 19 1
18 16 20 2
19 16 21 1
20 17 22 2
21 18 23 1
22 20 24 1
23 22 25 1
24 26 24 1 #Up
25 26 27 1
26 26 28 1
27 27 29 1
28 28 30 1
29 28 31 1 #Down
30 29 32 1
31 29 33 1 #Up
32 30 34 1 #Up
33 32 35 1 #Down
34 7 13 1
35 9 11 2
36 20 22 1
37 30 32 1
38 21 36 1
39 1 2 2
40 33 37 1
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