ATOM 37
1 C1z C 27.6683 -16.3919
2 C1z C 26.4603 -17.0979
3 C1z C 27.6800 -15.0030
4 C1y C 28.8586 -17.1096
5 O2x O 27.6390 -17.7924
6 C1y C 25.2465 -16.3859
7 C5x C 26.4603 -18.4984
8 C1a C 27.0087 -15.6916
9 C1y C 28.8879 -14.3202
10 C1x C 26.4720 -14.2968
11 C1a C 27.6740 -13.5966
12 C7x C 30.0725 -16.4210
13 C1z C 24.0327 -17.0979
14 C1x C 25.2581 -14.9854
15 C1x C 25.2465 -19.1928
16 O5x O 27.6800 -19.1928
17 C8y C 28.9022 -12.9264
18 O7x O 30.0899 -15.0264
19 O6a O 31.2803 -17.1388
20 C1y C 24.0268 -18.4984
21 C1y C 22.9240 -16.2226
22 C1a C 24.0211 -15.6916
23 C8x C 27.7508 -12.1359
24 C8x C 30.0072 -12.0633
25 C1z C 22.9299 -19.3737
26 C1x C 21.5527 -16.5377
27 O7a O 22.9182 -14.8162
28 C8x C 28.1399 -10.7958
29 O2x O 29.5344 -10.7481
30 O7x O 21.5585 -19.0703
31 C1a C 23.6302 -20.6516
32 C1a C 22.2237 -20.5816
33 C7x C 20.9574 -17.8041
34 C7a C 22.2179 -13.6025
35 O6a O 19.5511 -17.8098
36 C1a C 22.9065 -12.3888
37 O6a O 20.8115 -13.6082
BOND 42
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 3 11 1 #Down
11 4 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 7 16 2
16 9 17 1 #Down
17 9 18 1
18 12 19 2
19 13 20 1
20 13 21 1
21 13 22 1 #Up
22 17 23 1
23 17 24 2
24 20 25 1
25 21 26 1
26 21 27 1 #Down
27 23 28 2
28 24 29 1
29 25 30 1
30 25 31 1
31 25 32 1
32 26 33 1
33 27 34 1
34 33 35 2
35 34 36 1
36 34 37 2
37 4 5 1 #Up
38 10 14 1
39 12 18 1
40 15 20 1
41 28 29 1
42 30 33 1
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