ATOM 39
1 C1y C 22.0674 -20.0239
2 C1x C 22.0343 -21.4092
3 O2x O 20.8889 -19.3050
4 C1y C 20.8237 -22.0625
5 C1y C 19.6754 -19.9633
6 C1y C 19.6472 -21.3516
7 O2a O 20.7885 -23.4398
8 C1a C 18.5020 -19.2474
9 O1a O 18.4366 -22.0049
10 C1a C 19.5639 -24.1052
11 C1z C 30.5922 -15.5656
12 C1z C 30.5746 -16.9345
13 C1y C 31.7979 -14.8900
14 C5x C 29.4098 -14.8667
15 C1a C 30.5863 -14.1853
16 C1y C 29.3865 -17.6159
17 C1x C 32.9570 -16.9635
18 O1a O 30.5632 -18.3091
19 C2y C 31.8096 -13.5154
20 C1x C 32.9744 -15.5948
21 C2y C 28.2158 -15.5423
22 O5x O 29.4215 -13.4863
23 C2y C 28.2041 -16.9169
24 C1x C 29.3865 -18.9964
25 C1x C 31.3844 -12.2107
26 C2x C 33.1842 -13.5154
27 O1a O 27.0217 -14.8435
28 C1z C 26.9984 -17.6042
29 C1x C 28.1925 -19.6778
30 O7x O 32.4969 -11.4011
31 C7x C 33.6036 -12.2107
32 C1y C 26.9927 -18.9848
33 C1x C 25.8103 -16.9169
34 C1a C 26.9868 -16.2239
35 O6a O 34.9140 -11.7798
36 C1x C 25.8103 -19.6721
37 C1x C 24.6163 -17.6042
38 C1y C 24.6163 -18.9848
39 O2a O 23.4222 -19.6721
BOND 44
1 5 6 1
2 1 2 1
3 1 3 1
4 2 4 1
5 3 5 1
6 4 6 1
7 4 7 1 #Down
8 5 8 1 #Down
9 6 9 1 #Up
10 11 12 1
11 11 13 1
12 11 14 1
13 11 15 1 #Up
14 12 16 1
15 12 17 1
16 12 18 1 #Up
17 13 19 1
18 13 20 1
19 14 21 1
20 14 22 2
21 16 23 1
22 16 24 1
23 19 25 1
24 19 26 2
25 21 27 1
26 23 28 1
27 24 29 1
28 25 30 1
29 26 31 1
30 28 32 1
31 28 33 1
32 28 34 1 #Up
33 31 35 2
34 32 36 1
35 33 37 1
36 36 38 1
37 38 39 1 #Up
38 17 20 1
39 21 23 2
40 29 32 1
41 30 31 1
42 37 38 1
43 1 39 1 #Up
44 7 10 1
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