ATOM 44
1 C8x C 16.1700 -20.5100
2 C8y C 16.1700 -21.9100
3 C8y C 17.3824 -22.6100
4 C8x C 18.5949 -21.9100
5 C8y C 18.5949 -20.5100
6 C8x C 17.3824 -19.8100
7 O1a O 14.9576 -22.6100
8 O1a O 17.3824 -24.0098
9 C1y C 19.8260 -19.7990
10 O2x O 21.0312 -20.4947
11 C1y C 22.2435 -19.7946
12 C1y C 22.2435 -18.3946
13 O2x O 21.0383 -17.6989
14 C1x C 19.8259 -18.3990
15 C1y C 23.4560 -20.4945
16 C1y C 24.6684 -19.7944
17 C1y C 24.6683 -18.3944
18 O2x O 23.4559 -17.6945
19 C1b C 25.8527 -17.7105
20 O1a O 25.8527 -16.3105
21 O7a O 25.8524 -20.3700
22 C7a C 27.0649 -19.8100
23 C2b C 28.2773 -20.5100
24 C2b C 29.4897 -19.8100
25 C8y C 30.7022 -20.5100
26 C8x C 30.7022 -21.9097
27 C8y C 31.9146 -22.6097
28 C8y C 33.1271 -21.9097
29 C8x C 33.1270 -20.5100
30 C8x C 31.9146 -19.8100
31 O2a O 23.4562 -22.6800
32 C1y C 24.6641 -23.3772
33 O2x O 24.6642 -24.7798
34 C1y C 25.8768 -25.4796
35 C1y C 27.0891 -24.7795
36 C1y C 27.0889 -23.3769
37 C1y C 25.8764 -22.6770
38 O1a O 28.3007 -22.6770
39 O1a O 25.8764 -21.3470
40 C1a C 25.8768 -26.8796
41 O1a O 31.9146 -24.0100
42 O1a O 34.3268 -22.6024
43 O6a O 27.0649 -18.4100
44 O1a O 28.3025 -25.4799
BOND 48
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 3 8 1
9 9 5 1 #Up
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 9 14 1
16 11 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 12 18 1
21 17 19 1 #Down
22 19 20 1
23 16 21 1 #Up
24 21 22 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 15 31 1 #Down
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 32 37 1
42 36 38 1 #Down
43 37 39 1 #Down
44 34 40 1 #Down
45 27 41 1
46 28 42 1
47 22 43 2
48 35 44 1 #Up
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