ATOM 42
1 C8y C 12.6711 -16.2439
2 C8x C 12.6711 -17.6442
3 C8x C 13.8615 -18.2744
4 C8y C 15.0518 -17.6442
5 C8y C 15.0518 -16.2439
6 C8y C 13.8615 -15.5437
7 N4x N 16.3821 -18.0643
8 C8y C 17.2224 -16.9440
9 C8y C 16.3821 -15.8238
10 C1z C 18.4828 -16.5239
11 C1y C 18.4828 -15.1236
12 C1y C 17.2224 -14.7035
13 C1z C 19.7430 -17.1541
14 C1z C 20.9334 -16.5239
15 C1x C 20.9334 -15.1236
16 C1x C 19.7430 -14.4234
17 C1x C 19.7430 -18.5546
18 C1x C 20.9334 -19.2547
19 C1y C 22.1237 -18.5546
20 C2y C 22.1237 -17.1541
21 O2x O 23.3140 -19.2547
22 C1y C 24.5044 -18.5546
23 C1y C 24.5044 -17.1541
24 C2x C 23.3140 -16.5239
25 C1a C 18.4827 -17.9244
26 O1a O 22.1237 -15.8238
27 C2c C 25.7647 -19.2547
28 C1a C 19.1829 -15.6838
29 O1a O 25.7647 -16.4539
30 C2a C 25.7647 -20.8651
31 C1a C 27.0250 -18.5546
32 C1y C 13.8615 -14.1434
33 C1y C 12.6711 -13.4431
34 C2y C 11.4808 -14.1434
35 C1x C 11.4808 -15.5437
36 C1y C 14.5617 -12.9530
37 C1x C 13.3013 -12.2528
38 C2a C 10.2205 -13.4431
39 O2x O 17.2224 -13.3031
40 C1z C 15.8920 -12.6029
41 C1a C 16.8723 -11.5526
42 C1a C 14.9117 -11.5526
BOND 50
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 11 16 1
20 13 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 14 20 1
25 19 21 1
26 21 22 1
27 22 23 1
28 23 24 1
29 20 24 2
30 10 25 1 #Down
31 14 26 1 #Down
32 22 27 1 #Up
33 13 28 1 #Up
34 23 29 1 #Up
35 27 30 2
36 27 31 1
37 6 32 1
38 32 33 1
39 33 34 1
40 34 35 1
41 1 35 1
42 32 36 1
43 36 37 1
44 33 37 1
45 34 38 2
46 12 39 1
47 36 40 1
48 39 40 1
49 40 41 1
50 40 42 1
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