ATOM 43
1 C8y C 26.6027 -14.6205
2 C8y C 27.7977 -15.3083
3 C8y C 26.6085 -13.2508
4 C1y C 25.4195 -15.3083
5 C8y C 28.9867 -14.6205
6 O2x O 27.7918 -16.6839
7 C8x C 27.7977 -12.5630
8 C1x C 25.4312 -12.5571
9 C1x C 25.4136 -16.6782
10 N1y N 24.2303 -14.6088
11 C8y C 28.9867 -13.2508
12 O2x O 30.1116 -15.3142
13 C8y C 28.9750 -17.3776
14 C1x C 24.2596 -13.2508
15 C8y C 24.2187 -17.3543
16 C1a C 23.0354 -15.2792
17 O2a O 30.1758 -12.5630
18 C8y C 30.1349 -16.6315
19 C8x C 28.9750 -18.7532
20 C8x C 24.2420 -18.7240
21 C8x C 23.0237 -16.6782
22 C1a C 31.3648 -13.2391
23 C8x C 31.3648 -17.2610
24 C8y C 30.2806 -19.3768
25 C8y C 23.0587 -19.4294
26 C8x C 21.8464 -17.3834
27 C8y C 31.3532 -18.6249
28 C1y C 30.3390 -20.7467
29 C8y C 25.6176 -20.8108
30 C8y C 21.8638 -18.7590
31 C1x C 32.6471 -19.2370
32 C1x C 29.1616 -21.4228
33 N1y N 31.5746 -21.3645
34 C8x C 26.7892 -20.0996
35 C8y C 25.6526 -22.1747
36 O2a O 20.6922 -19.4585
37 C1x C 32.6355 -20.6010
38 C8y C 27.9841 -20.7467
39 C1a C 31.5922 -22.7285
40 C8x C 26.8533 -22.8275
41 O1a O 24.5101 -22.9266
42 C1a C 20.7039 -20.8224
43 C8x C 28.0191 -22.1106
BOND 50
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 10 16 1
16 11 17 1
17 12 18 1
18 13 19 2
19 15 20 2
20 15 21 1
21 17 22 1
22 18 23 2
23 19 24 1
24 20 25 1
25 21 26 2
26 23 27 1
27 24 28 1
28 25 29 1
29 25 30 2
30 27 31 1
31 28 32 1 #Up
32 28 33 1
33 29 34 1
34 29 35 2
35 30 36 1
36 31 37 1
37 32 38 1
38 33 39 1
39 35 40 1
40 35 41 1
41 36 42 1
42 38 43 1
43 7 11 2
44 10 14 1
45 13 18 1
46 24 27 2
47 26 30 1
48 33 37 1
49 34 38 2
50 40 43 2
|