ATOM 48
1 C1z C 23.2539 -19.8145
2 C1y C 21.8496 -19.8203
3 C1y C 23.9532 -21.0265
4 O2x O 22.5606 -21.0324
5 C1a C 23.9415 -18.5967
6 C1y C 20.9461 -18.6083
7 C1x C 25.3457 -21.0265
8 O7a O 23.2598 -22.2270
9 C1y C 20.9638 -17.0817
10 C1a C 19.7519 -18.5967
11 C5x C 26.0393 -19.8145
12 C7a C 23.9591 -23.4389
13 C1x C 22.1000 -16.4173
14 O7x O 19.6995 -16.4699
15 N1y N 27.4378 -19.8145
16 O5x O 25.3283 -18.5967
17 C1c C 25.3517 -23.4389
18 O6a O 23.2539 -24.6510
19 C1z C 22.1234 -15.0713
20 C7x C 19.6995 -15.0713
21 C8y C 28.1254 -18.6083
22 C1a C 28.1254 -21.0208
23 N1c N 26.0567 -24.6510
24 C1a C 26.0509 -22.2210
25 C1y C 23.3413 -14.3721
26 N1x N 20.9174 -14.3663
27 O1a O 22.1119 -13.5271
28 O6a O 18.4874 -14.3663
29 C8x C 28.1544 -17.2215
30 C8y C 29.3256 -19.3250
31 C5a C 27.4494 -24.6510
32 C1a C 25.3457 -25.8630
33 C2x C 24.5534 -15.0771
34 O2a O 23.3296 -12.9619
35 C8y C 29.3723 -16.5339
36 C8y C 30.6135 -18.6491
37 X Cl 29.3140 -20.7235
38 C1a C 28.1487 -25.8630
39 O5a O 28.1370 -23.4332
40 C2x C 25.7712 -14.3895
41 C1a C 24.5417 -12.2569
42 C8x C 30.5668 -17.2565
43 C1x C 29.3899 -15.1354
44 O2a O 31.7497 -19.3426
45 C2x C 26.9775 -15.1004
46 C2y C 28.1894 -14.4245
47 C1a C 32.9617 -18.6433
48 C1a C 28.1837 -13.0202
BOND 51
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1 #Down
8 6 9 1
9 6 10 1 #Down
10 7 11 1
11 8 12 1
12 9 13 1
13 9 14 1
14 11 15 1
15 11 16 2
16 12 17 1
17 12 18 2
18 13 19 1
19 14 20 1
20 15 21 1
21 15 22 1
22 17 23 1
23 17 24 1 #Down
24 19 25 1
25 19 26 1
26 19 27 1 #Down
27 20 28 2
28 21 29 2
29 21 30 1
30 23 31 1
31 23 32 1
32 25 33 1
33 25 34 1 #Down
34 29 35 1
35 30 36 2
36 30 37 1
37 31 38 1
38 31 39 2
39 33 40 2
40 34 41 1
41 35 42 2
42 35 43 1
43 36 44 1
44 40 45 1
45 43 46 1
46 44 47 1
47 46 48 1
48 2 4 1
49 20 26 1
50 36 42 1
51 45 46 2
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