ATOM 42
1 C1z C 26.6294 -16.2098
2 C1y C 26.6294 -17.5291
3 C1y C 26.6177 -14.9138
4 C1y C 27.5693 -15.4625
5 C1y C 25.5027 -15.5734
6 C1z C 25.5027 -18.1713
7 C1x C 27.6159 -18.2998
8 C1y C 28.8420 -18.0020
9 N1y N 25.0356 -16.9570
10 C1z C 28.7719 -15.7369
11 C1x C 27.4583 -14.2249
12 C1x C 24.3701 -16.2098
13 O2a O 25.5027 -14.2540
14 C1x C 25.0414 -19.2979
15 C1x C 24.3701 -17.5232
16 O7a O 25.8937 -19.8642
17 C1z C 29.3498 -16.8109
18 C1b C 23.8505 -16.2682
19 C1y C 29.4023 -14.6802
20 O1a O 29.7820 -15.7310
21 C1y C 28.5851 -13.7519
22 C1a C 24.3759 -13.6119
23 C7a C 24.6737 -20.4422
24 C1x C 31.3693 -15.9706
25 O1a O 30.4823 -17.4590
26 C1a C 22.6712 -16.9511
27 O2a O 31.6149 -13.5768
28 C1y C 30.0268 -13.7461
29 C8y C 24.6679 -21.6097
30 O6a O 23.6695 -19.8526
31 C1a C 32.9574 -14.1899
32 O2a O 30.8791 -12.5612
33 C8y C 23.6638 -22.1819
34 C8x C 25.6661 -22.1936
35 C1a C 30.0095 -11.1602
36 C8x C 23.6521 -23.3377
37 N1b N 22.6538 -21.5923
38 C8x C 25.6603 -23.3553
39 C8x C 24.6503 -23.9391
40 C5a C 21.6554 -22.1643
41 C1a C 20.6630 -21.5806
42 O5a O 21.6496 -23.3144
BOND 48
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 8 3 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1 #Down
14 6 15 1
15 6 16 1 #Up
16 8 17 1
17 9 18 1
18 10 19 1
19 10 20 1 #Up
20 11 21 1
21 13 22 1
22 16 23 1
23 17 24 1
24 17 25 1 #Up
25 18 26 1
26 19 27 1 #Down
27 21 28 1
28 23 29 1
29 23 30 2
30 27 31 1
31 28 32 1 #Up
32 29 33 2
33 29 34 1
34 32 35 1
35 33 36 1
36 33 37 1
37 34 38 2
38 36 39 2
39 37 40 1
40 40 41 1
41 40 42 2
42 7 8 1
43 9 14 1
44 10 17 1
45 12 15 1
46 19 21 1
47 24 28 1
48 38 39 1
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