ATOM 43
1 C1y C 17.2145 -11.6855
2 C1y C 17.6344 -13.0152
3 C1y C 19.0341 -13.0152
4 C1y C 19.4540 -11.6855
5 O2x O 18.3343 -10.8456
6 C1b C 15.8848 -11.1956
7 N4y N 20.7837 -11.3355
8 C8y C 21.9735 -12.0354
9 C8x C 20.7837 -9.9358
10 N5x N 23.2332 -11.3355
11 O5x O 21.9735 -13.4351
12 C8x C 21.9735 -9.2360
13 C8y C 23.2332 -9.9358
14 N1a N 24.4229 -9.2360
15 O1a O 19.8615 -14.1441
16 O1a O 16.8070 -14.1441
17 O2b O 14.8090 -12.0911
18 P1b P 13.4093 -12.0911
19 O1c O 13.4093 -10.6914
20 O1c O 13.4093 -13.4908
21 C1y C 8.1127 -11.7760
22 C1y C 8.1127 -13.1799
23 O2x O 9.3302 -11.0829
24 C1c C 6.8952 -11.0829
25 C1y C 9.3302 -13.8847
26 N1b N 6.8952 -13.8847
27 C1z C 10.5359 -11.7760
28 C1c C 6.9010 -9.6788
29 N1b N 5.6834 -11.7760
30 C1x C 10.5359 -13.1799
31 O1a O 9.3302 -15.2826
32 C5a C 6.9010 -15.2767
33 O2b O 11.8814 -12.1371
34 C1a C 5.6834 -8.9741
35 O1a O 8.1127 -8.9741
36 C1a C 5.6951 -15.9758
37 O5a O 8.1067 -15.9701
38 C5a C 4.4547 -11.0601
39 C1a C 3.2584 -11.7447
40 O5a O 4.4601 -9.6583
41 C6a C 10.5359 -10.3760
42 O6a O 11.7808 -9.6572
43 O6a O 9.7626 -9.4766
BOND 45
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1 #Up
7 7 8 1
8 7 9 1
9 8 10 1
10 8 11 2
11 9 12 2
12 10 13 2
13 13 14 1
14 12 13 1
15 4 7 1 #Up
16 3 15 1 #Down
17 2 16 1 #Down
18 6 17 1
19 17 18 1
20 18 19 2
21 18 20 1
22 21 22 1
23 21 23 1
24 21 24 1
25 22 25 1
26 22 26 1 #Down
27 23 27 1
28 24 28 1
29 24 29 1 #Up
30 25 30 1
31 25 31 1 #Down
32 26 32 1
33 27 33 1 #Up
34 28 34 1
35 28 35 1 #Down
36 32 36 1
37 32 37 2
38 27 30 1
39 29 38 1
40 38 39 1
41 38 40 2
42 18 33 1
43 27 41 1 #Down
44 41 42 1
45 41 43 2
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