ATOM 41
1 O2a O 21.8935 -14.5616
2 C1y C 20.5888 -15.1934
3 O2x O 19.4012 -14.5088
4 C1y C 20.5888 -16.5741
5 C1y C 18.2018 -15.1934
6 C1y C 19.4012 -17.2645
7 O1a O 21.7824 -17.2645
8 C1y C 18.2018 -16.5741
9 C6a C 17.0084 -14.5088
10 O1a O 19.4071 -18.6452
11 O1a O 17.0084 -17.2702
12 O6a O 17.0142 -13.1281
13 O6a O 15.8149 -15.1934
14 C8y C 31.4767 -15.8924
15 C8x C 29.9200 -18.3028
16 C8y C 32.0556 -17.2332
17 O5x O 32.3295 -14.8453
18 C8y C 31.2441 -18.2957
19 C1x C 33.4486 -17.2252
20 C1z C 31.8862 -19.7136
21 O7x O 34.0208 -18.6358
22 C7x C 33.2017 -19.7487
23 C1b C 30.3655 -19.5522
24 O1a O 31.7957 -21.1064
25 O6a O 33.8191 -21.1978
26 C1a C 29.4997 -20.7373
27 C8y C 29.2710 -17.0249
28 N4y N 30.0821 -15.8872
29 C1x C 29.2530 -14.7623
30 C8y C 27.9354 -16.6035
31 C8y C 27.9260 -15.2090
32 C8y C 26.7174 -14.5270
33 N5x N 26.7362 -17.3089
34 C8y C 25.4575 -16.6269
35 C8y C 25.5112 -15.2367
36 C8x C 24.3065 -14.5495
37 C8y C 23.1107 -15.2526
38 C8x C 23.1198 -16.6427
39 C8x C 24.3248 -17.3298
40 C1b C 26.7748 -13.1273
41 C1a C 25.4863 -12.4384
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 5 8 1
14 27 28 1
15 28 29 1
16 29 31 1
17 30 27 1
18 14 16 1
19 14 17 2
20 15 18 1
21 16 19 1
22 30 31 2
23 31 32 1
24 32 35 2
25 34 33 2
26 33 30 1
27 18 20 1
28 19 21 1
29 20 22 1
30 20 23 1 #Down
31 20 24 1 #Up
32 22 25 2
33 34 35 1
34 35 36 1
35 36 37 2
36 37 38 1
37 38 39 2
38 39 34 1
39 23 26 1
40 16 18 2
41 21 22 1
42 28 14 1
43 37 1 1
44 32 40 1
45 27 15 2
46 40 41 1
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