ATOM 37
1 C1y C 30.3445 -18.1818
2 C1y C 29.1466 -18.9160
3 C1y C 29.1192 -20.3202
4 O2x O 30.4121 -20.9845
5 C1y C 31.5402 -20.2576
6 C1y C 31.5782 -18.8593
7 O1a O 32.7769 -18.1267
8 O1a O 30.3112 -16.7800
9 O1a O 27.9212 -18.2488
10 O2a O 27.7810 -21.2319
11 C1b C 32.8415 -20.9263
12 C8x C 24.1635 -21.9312
13 C8y C 24.1635 -23.3195
14 C8x C 25.3678 -24.0170
15 C8x C 25.3678 -21.2407
16 C8y C 26.5686 -21.9289
17 C8y C 26.6342 -23.3131
18 C1y C 23.0224 -24.1526
19 O2x O 21.8975 -23.3297
20 C1x C 20.7657 -24.1526
21 C1y C 22.5952 -25.4717
22 C1y C 21.2115 -25.4653
23 C1y C 20.7682 -26.7790
24 O2x O 21.8897 -27.5945
25 C1x C 23.0118 -26.7895
26 C8y C 19.4958 -27.5140
27 C8x C 18.2917 -29.5998
28 C8x C 19.4958 -28.9022
29 C8x C 18.2917 -26.8235
30 C8y C 17.0994 -28.8927
31 C8y C 17.0987 -27.5113
32 O2x O 15.7841 -27.0872
33 C1x C 14.9701 -28.2066
34 O2x O 15.7853 -29.3180
35 O2a O 27.7735 -24.0158
36 C1a C 28.9876 -23.3092
37 O1a O 34.0401 -20.2001
BOND 42
1 20 22 1
2 3 10 1 #Up
3 4 5 1
4 5 11 1 #Up
5 5 6 1
6 6 1 1
7 21 22 1
8 22 23 1
9 23 24 1
10 24 25 1
11 25 21 1
12 23 26 1 #Down
13 6 7 1 #Down
14 12 13 1
15 13 14 2
16 30 27 1
17 27 28 2
18 28 26 1
19 26 29 2
20 29 31 1
21 14 17 1
22 16 15 1
23 15 12 2
24 1 2 1
25 18 13 1 #Down
26 1 8 1 #Up
27 16 17 2
28 2 3 1
29 2 9 1 #Down
30 3 4 1
31 30 31 2
32 31 32 1
33 32 33 1
34 33 34 1
35 34 30 1
36 21 18 1
37 17 35 1
38 18 19 1
39 35 36 1
40 16 10 1
41 19 20 1
42 11 37 1
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