ATOM 38
1 C1x C 17.3794 -18.6199
2 C1y C 17.3794 -19.9999
3 C2x C 18.5774 -20.6898
4 C1x C 18.5774 -17.9299
5 C1z C 19.7684 -18.6199
6 C2y C 19.7625 -19.9999
7 C1x C 20.9546 -20.6950
8 C1x C 22.1526 -20.0100
9 C1y C 20.9663 -17.9351
10 C1y C 22.1526 -18.6331
11 C1x C 22.1752 -15.8803
12 C1x C 20.9778 -16.5588
13 C1z C 23.3616 -16.5782
14 C1x C 25.7382 -16.6070
15 C1y C 24.5583 -15.9066
16 C1x C 25.7917 -17.9092
17 C1z C 23.3573 -17.8928
18 C8y C 24.5749 -14.5267
19 C1a C 23.3523 -15.1978
20 C1a C 19.7559 -17.2398
21 O2a O 16.1847 -20.6904
22 C8x C 25.8451 -13.8567
23 C8x C 25.8620 -12.4767
24 C8y C 24.6052 -11.7724
25 O7x O 23.4719 -12.4478
26 C8x C 23.4552 -13.8277
27 O6a O 24.6220 -10.3925
28 O1a O 23.3455 -19.3377
29 C1y C 14.9893 -20.0012
30 O2x O 14.9890 -18.6225
31 C1y C 13.7934 -17.9332
32 C1y C 12.5987 -18.6237
33 C1y C 12.5995 -20.0037
34 C1y C 13.7948 -20.6931
35 C1a C 13.7928 -16.5533
36 O1a O 13.7964 -22.0732
37 O1a O 11.4047 -20.6943
38 O1a O 11.4033 -17.9344
BOND 43
1 9 5 1
2 13 19 1 #Up
3 5 4 1
4 5 20 1 #Up
5 4 1 1
6 2 21 1 #Up
7 1 2 1
8 9 10 1
9 10 17 1
10 13 11 1
11 18 22 1
12 22 23 2
13 23 24 1
14 24 25 1
15 25 26 1
16 26 18 2
17 11 12 1
18 24 27 2
19 12 9 1
20 17 28 1 #Up
21 2 3 1
22 29 21 1 #Up
23 3 6 2
24 5 6 1
25 13 17 1
26 16 14 1
27 14 15 1
28 29 30 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 34 29 1
34 15 13 1
35 31 35 1 #Down
36 6 7 1
37 34 36 1 #Down
38 7 8 1
39 33 37 1 #Down
40 16 17 1
41 32 38 1 #Up
42 8 10 1
43 15 18 1 #Up
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