ATOM 46
1 C8y C 29.0222 -20.4204
2 C8y C 30.1358 -19.7404
3 C8x C 29.0548 -21.7299
4 C8x C 31.2752 -20.3628
5 O2a O 30.1733 -18.4382
6 C8x C 30.1978 -22.3471
7 C8y C 31.3126 -21.6690
8 C1a C 31.3489 -17.7450
9 O1a O 32.4620 -22.2963
10 C1z C 22.7880 -16.9189
11 C1y C 23.9727 -17.5032
12 C1y C 21.7444 -17.5091
13 O2x O 23.6396 -16.1258
14 C1y C 22.8404 -15.6066
15 C1y C 25.0631 -16.7683
16 C2x C 24.2520 -18.7746
17 C1z C 21.3062 -18.6637
18 C2x C 20.6940 -16.7273
19 C1z C 24.8879 -12.4278
20 C1x C 23.7975 -14.8834
21 C1a C 21.5691 -14.9535
22 C1z C 25.0396 -15.4548
23 O2x O 26.3930 -17.1541
24 C2y C 23.4236 -19.7070
25 C1x C 22.1171 -19.7653
26 C5x C 20.0057 -18.7044
27 O1a O 21.1604 -20.2500
28 C2y C 19.6388 -17.4624
29 O2x O 24.8937 -14.4343
30 C1b C 24.9520 -11.5414
31 C2c C 26.2418 -14.7958
32 O5x O 19.2181 -19.7419
33 C1a C 18.4024 -17.0357
34 C8y C 23.8150 -10.8941
35 C1a C 26.2359 -13.4951
36 C2a C 27.2214 -15.4548
37 C8x C 23.8150 -9.6013
38 C8x C 22.6827 -11.5472
39 C8x C 22.6711 -8.9555
40 C8x C 21.5575 -10.9058
41 C8x C 21.5458 -9.6013
42 C1b C 24.5511 -20.4238
43 O7a O 25.6736 -19.7741
44 C7a C 26.7962 -20.4167
45 C1b C 27.9117 -19.7741
46 O6a O 26.7962 -21.7127
BOND 52
1 6 7 2
2 1 2 1
3 1 3 2
4 10 11 1
5 10 12 1
6 10 13 1 #Down
7 10 14 1
8 11 15 1
9 11 16 1
10 12 17 1
11 12 18 1
12 13 19 1
13 14 20 1
14 14 21 1 #Down
15 15 22 1
16 15 23 1 #Down
17 16 24 2
18 17 25 1
19 17 26 1
20 17 27 1 #Up
21 18 28 2
22 19 29 1
23 19 30 1
24 22 31 1 #Up
25 26 32 2
26 28 33 1
27 30 34 1
28 31 35 1
29 31 36 2
30 34 37 2
31 34 38 1
32 37 39 1
33 38 40 2
34 39 41 2
35 19 23 1
36 20 22 1
37 22 29 1 #Down
38 24 25 1
39 26 28 1
40 40 41 1
41 2 4 2
42 2 5 1
43 24 42 1
44 3 6 1
45 42 43 1
46 4 7 1
47 43 44 1
48 5 8 1
49 44 45 1
50 7 9 1
51 44 46 2
52 45 1 1
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