ATOM 41
1 C1z C 23.1902 -20.0866
2 C1y C 24.3727 -19.4108
3 C1y C 22.0136 -19.4108
4 C1y C 23.1845 -21.4438
5 C1a C 23.1728 -18.7235
6 C1y C 25.5321 -20.0982
7 C1x C 24.3787 -18.0535
8 O2a O 22.0020 -18.0418
9 C1y C 20.8311 -20.0866
10 C1x C 24.3553 -22.1311
11 C1x C 22.0136 -22.1254
12 C1y C 26.7087 -19.4282
13 C1x C 25.5321 -21.4554
14 C1x C 25.5553 -17.3894
15 C1y C 21.9903 -16.6437
16 C1y C 20.8311 -21.4438
17 O1a O 19.6602 -19.4049
18 C1z C 26.7261 -18.0711
19 C1x C 29.0505 -19.4516
20 C1y C 20.8252 -15.9680
21 O2x O 23.1671 -15.9680
22 O1a O 19.6602 -22.1254
23 C1y C 27.9088 -17.4127
24 C1a C 26.7146 -16.7137
25 C1y C 29.0154 -18.1001
26 C1y C 20.8252 -14.6108
27 O1a O 19.6195 -16.6613
28 C1x C 23.1786 -14.6166
29 C1y C 27.9088 -16.0554
30 O2x O 30.2505 -17.4185
31 C1y C 22.0020 -13.9351
32 O1a O 19.6427 -13.9234
33 C1z C 30.2505 -16.0554
34 C1a C 26.9476 -15.0884
35 O1a O 22.0077 -12.5720
36 C1x C 31.4271 -16.7311
37 O2x O 30.2505 -14.6923
38 C1x C 32.6039 -16.0613
39 C1x C 31.4271 -14.0224
40 C1y C 32.6039 -14.6982
41 C1a C 33.7864 -14.0224
BOND 47
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 3 8 1 #Up
8 3 9 1
9 4 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 15 8 1 #Up
15 9 16 1
16 9 17 1 #Up
17 12 18 1
18 12 19 1
19 15 20 1
20 15 21 1
21 16 22 1 #Down
22 18 23 1
23 18 24 1 #Up
24 19 25 1
25 20 26 1
26 20 27 1 #Down
27 21 28 1
28 23 29 1
29 25 30 1
30 26 31 1
31 26 32 1 #Up
32 29 33 1
33 29 34 1 #Down
34 31 35 1 #Up
35 33 36 1
36 33 37 1 #Down
37 36 38 1
38 37 39 1
39 38 40 1
40 40 41 1 #Down
41 10 13 1
42 11 16 1
43 14 18 1
44 23 25 1
45 28 31 1
46 30 33 1
47 39 40 1
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