ATOM 40
1 C1z C 27.2082 -15.3071
2 C1z C 27.2142 -13.8940
3 C1y C 28.5512 -15.7392
4 C2y C 25.9762 -16.0078
5 O2x O 27.5762 -16.6734
6 C1y C 25.9762 -13.1700
7 C1y C 28.5571 -13.4502
8 C1a C 27.1966 -12.5393
9 C1x C 29.3862 -14.5888
10 C1y C 24.7558 -15.3071
11 C2a C 25.9762 -17.4208
12 C1y C 24.7558 -13.8883
13 O7a O 25.8421 -11.1152
14 C8y C 29.2869 -12.2591
15 C1z C 23.5238 -16.0018
16 O7a O 23.5297 -13.1700
17 C7a C 27.0682 -10.4262
18 C8x C 28.7381 -10.9396
19 C8x C 30.7000 -12.1132
20 C1y C 23.5297 -17.4208
21 C2x C 22.2860 -15.3012
22 C1a C 23.5180 -14.5771
23 C7a C 23.5297 -11.7569
24 C1a C 27.0742 -9.0133
25 O6a O 28.1484 -11.0568
26 C8x C 29.8066 -10.0169
27 O2x O 31.0153 -10.7469
28 C1z C 22.2919 -18.1389
29 C1b C 24.7558 -18.2732
30 C2x C 21.0599 -16.0018
31 C1a C 22.3094 -11.0562
32 O6a O 24.5458 -11.0622
33 C5x C 21.0599 -17.4208
34 C1a C 21.7138 -19.2191
35 C1a C 22.7064 -19.2191
36 C7a C 24.7558 -19.8903
37 O5x O 19.8278 -18.1389
38 O7a O 25.9704 -20.5851
39 O6a O 23.5355 -20.5910
40 C1a C 25.9704 -21.9981
BOND 44
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 #Down
8 3 9 1
9 4 10 1
10 4 11 2
11 6 12 1
12 6 13 1 #Down
13 7 14 1 #Down
14 10 15 1
15 12 16 1 #Down
16 13 17 1
17 14 18 1
18 14 19 2
19 15 20 1
20 15 21 1
21 15 22 1 #Up
22 16 23 1
23 17 24 1
24 17 25 2
25 18 26 2
26 19 27 1
27 20 28 1
28 20 29 1 #Up
29 21 30 2
30 23 31 1
31 23 32 2
32 28 33 1
33 28 34 1
34 28 35 1
35 29 36 1
36 33 37 2
37 36 38 1
38 36 39 2
39 38 40 1
40 3 5 1 #Up
41 7 9 1
42 10 12 1
43 26 27 1
44 30 33 1
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