ATOM 38
1 C1y C 25.5809 -18.8529
2 C1y C 25.5264 -20.2526
3 O2a O 26.8043 -18.1485
4 O2x O 24.3628 -18.1566
5 C1y C 24.3828 -20.9629
6 O7a O 26.8194 -20.9519
7 C1y C 23.1524 -18.8617
8 C1y C 23.1569 -20.2685
9 O1a O 24.3876 -22.3695
10 C1b C 21.9344 -18.1654
11 O1a O 21.9434 -20.9788
12 O1a O 20.7262 -18.8698
13 C7a C 26.8253 -22.3505
14 O6a O 25.6170 -23.0549
15 C8y C 28.0395 -23.0448
16 C8x C 28.0415 -24.4390
17 C8x C 29.2557 -25.1332
18 C8x C 30.4640 -24.4287
19 C8x C 30.4580 -23.0302
20 C8x C 29.2439 -22.3359
21 C8y C 26.8060 -16.7498
22 C8y C 28.0185 -16.0595
23 C8x C 28.0200 -14.6609
24 C8x C 26.8095 -13.9600
25 C8x C 25.5975 -14.6580
26 C8x C 25.5958 -16.0566
27 C1b C 29.2272 -16.7631
28 O7a O 30.4409 -16.0681
29 C7a C 31.6497 -16.7717
30 C1z C 32.8634 -16.0766
31 O6a O 31.6385 -18.1666
32 C2x C 34.0698 -16.7826
33 C2x C 35.2835 -16.0875
34 C1x C 35.2884 -14.6888
35 C1x C 34.0796 -13.9853
36 C5x C 32.7959 -14.6802
37 O5x O 31.6565 -13.9776
38 O1a O 32.8535 -17.4744
BOND 41
1 17 18 2
2 18 19 1
3 19 20 2
4 20 15 1
5 7 10 1 #Up
6 3 21 1
7 8 11 1 #Down
8 7 8 1
9 10 12 1
10 1 2 1
11 21 22 2
12 22 23 1
13 23 24 2
14 24 25 1
15 25 26 2
16 26 21 1
17 6 13 1
18 22 27 1
19 1 3 1 #Up
20 27 28 1
21 13 14 2
22 28 29 1
23 1 4 1
24 29 30 1
25 13 15 1
26 29 31 2
27 2 5 1
28 2 6 1 #Down
29 4 7 1
30 5 8 1
31 5 9 1 #Up
32 30 32 1
33 32 33 2
34 33 34 1
35 34 35 1
36 35 36 1
37 36 30 1
38 15 16 2
39 36 37 2
40 16 17 1
41 30 38 1
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