ATOM 42
1 C8y C 26.5939 -14.6752
2 C8y C 27.7491 -15.3433
3 C8y C 26.5997 -13.3519
4 C1y C 25.4504 -15.3433
5 C8y C 28.9055 -14.6752
6 O2x O 27.7432 -16.6725
7 C8x C 27.7491 -12.6837
8 C1x C 25.4621 -12.6778
9 C1x C 25.4445 -16.6668
10 N1x N 24.3010 -14.6635
11 C8y C 28.9055 -13.3519
12 O2x O 30.0608 -15.3492
13 C8y C 28.8939 -17.3466
14 C1x C 24.3232 -13.3519
15 C8y C 24.2893 -17.3232
16 O2a O 30.0550 -12.6837
17 C8y C 30.0140 -16.6271
18 C8x C 28.8869 -18.6760
19 C8x C 24.3127 -18.6467
20 C8x C 23.1269 -16.6668
21 C1a C 31.2043 -13.3402
22 C8x C 31.2043 -17.2368
23 C8y C 30.1529 -19.2797
24 C8x C 23.1620 -19.3324
25 C8x C 21.9894 -17.3524
26 C8y C 31.1927 -18.5543
27 C1y C 30.1414 -20.6103
28 C8y C 25.6418 -20.6674
29 C8y C 22.0068 -18.6817
30 C1x C 32.4471 -19.1466
31 C1x C 29.0738 -21.2596
32 N1y N 31.4074 -21.2083
33 C8x C 26.7737 -19.9830
34 C8y C 25.6069 -21.9920
35 O2x O 20.8750 -19.3616
36 C1x C 32.5055 -20.4643
37 C8y C 27.9289 -20.6103
38 C1a C 31.4252 -22.5258
39 C8x C 26.8379 -22.6251
40 O2a O 24.5673 -22.7173
41 C8x C 27.9640 -21.9278
42 C1a C 23.3604 -22.1116
BOND 49
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1 #Down
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1
14 9 15 1
15 11 16 1
16 12 17 1
17 13 18 2
18 15 19 2
19 15 20 1
20 16 21 1
21 17 22 2
22 18 23 1
23 19 24 1
24 20 25 2
25 22 26 1
26 23 27 1
27 24 29 2
28 26 30 1
29 27 31 1 #Up
30 27 32 1
31 28 33 1
32 28 34 2
33 29 35 1
34 30 36 1
35 31 37 1
36 32 38 1
37 34 39 1
38 34 40 1
39 37 41 1
40 7 11 2
41 10 14 1
42 13 17 1
43 23 26 2
44 25 29 1
45 32 36 1
46 33 37 2
47 39 41 2
48 28 35 1
49 40 42 1
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