ATOM 42
1 O2a O 21.8498 -14.5645
2 C1y C 20.5476 -15.1951
3 O2x O 19.3623 -14.5119
4 C1y C 20.5476 -16.5732
5 C1y C 18.1653 -15.1951
6 C1y C 19.3623 -17.2622
7 O1a O 21.7389 -17.2622
8 C1y C 18.1653 -16.5732
9 C6a C 16.9742 -14.5119
10 O1a O 19.3682 -18.6402
11 O1a O 16.9742 -17.2679
12 O6a O 16.9099 -13.1338
13 O6a O 15.7829 -15.1951
14 C8y C 31.3445 -15.8925
15 C8x C 29.8609 -18.2985
16 C8y C 31.9922 -17.2308
17 O5x O 32.2655 -14.8477
18 C8y C 31.1823 -18.2911
19 C1b C 33.3824 -17.2221
20 C1d C 31.7533 -19.7065
21 C6a C 33.1361 -19.7415
22 C1b C 30.3053 -19.5455
23 O1a O 31.8015 -21.1668
24 O6a O 33.7523 -21.1879
25 C1a C 29.4412 -20.7283
26 C8y C 29.2129 -17.0231
27 N4y N 30.0225 -15.8875
28 C1x C 29.1950 -14.7649
29 C8y C 27.8800 -16.6025
30 C8y C 27.8706 -15.2107
31 C8y C 26.6643 -14.5300
32 N5x N 26.6831 -17.3066
33 C8y C 25.4768 -16.6258
34 C8y C 25.4605 -15.2383
35 C8x C 24.2581 -14.5525
36 C8y C 23.0646 -15.2542
37 C8x C 23.0738 -16.6416
38 C8x C 24.2764 -17.3274
39 C1b C 26.6518 -13.1330
40 C1a C 25.4356 -12.4455
41 O6a O 34.0271 -18.6015 #-
42 O1a O 34.1334 -16.1140
BOND 46
1 5 9 1 #Up
2 6 10 1 #Up
3 8 11 1 #Down
4 9 12 1
5 9 13 2
6 6 8 1
7 2 1 1 #Up
8 2 3 1
9 2 4 1
10 3 5 1
11 4 6 1
12 4 7 1 #Down
13 26 27 1
14 27 28 1
15 28 30 1
16 29 26 1
17 14 16 1
18 14 17 2
19 15 18 1
20 16 19 1
21 29 30 2
22 30 31 1
23 31 34 2
24 33 32 2
25 32 29 1
26 18 20 1
27 20 21 1
28 20 22 1 #Down
29 20 23 1 #Up
30 21 24 2
31 33 34 1
32 34 35 1
33 35 36 2
34 36 37 1
35 37 38 2
36 38 33 1
37 22 25 1
38 16 18 2
39 41 21 1
40 27 14 1
41 36 1 1
42 31 39 1
43 26 15 2
44 39 40 1
45 5 8 1
46 19 42 1
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