ATOM 43
1 C1y C 24.1093 -13.6210
2 C8y C 25.8573 -14.9648
3 C1y C 24.0451 -12.2245
4 C5x C 22.8297 -14.3099
5 C8y C 25.8573 -16.3611
6 C8y C 27.0716 -14.2689
7 O2x O 22.8414 -11.5228
8 C8y C 21.6201 -13.6093
9 O5x O 22.8240 -15.4202
10 C8y C 27.0716 -17.0617
11 O2x O 24.6477 -17.0617
12 C8x C 28.2751 -14.9648
13 O1a O 27.0774 -13.0767
14 C8y C 21.6259 -12.2186
15 C8y C 20.4234 -14.3099
16 C5x C 27.0716 -18.4581
17 C8y C 28.2751 -16.3611
18 C1y C 24.6477 -18.4641
19 C8x C 20.4234 -11.5171
20 C8x C 19.2079 -13.6093
21 O1a O 20.4294 -15.4961
22 C1y C 25.8632 -19.1599
23 O5x O 28.2810 -19.1599
24 O1a O 29.4849 -17.0617
25 C8y C 23.4380 -19.1658
26 C8y C 19.2079 -12.2186
27 O1a O 25.8632 -20.5562
28 C8x C 22.2343 -18.4641
29 C8x C 23.4497 -20.5621
30 O1a O 17.9985 -11.5171
31 C8y C 21.0305 -19.1658
32 C8x C 22.2403 -21.2567
33 C8y C 21.0305 -20.5621
34 O1a O 19.8150 -18.4698
35 O2a O 19.8209 -21.2626
36 C1a C 18.6113 -20.5621
37 C8y C 25.2575 -11.5313
38 C8x C 26.4644 -12.2420
39 C8x C 25.2606 -10.1380
40 C8x C 27.6740 -11.5462
41 C8x C 26.4761 -9.4434
42 C8y C 27.6797 -10.1497
43 O1a O 28.8952 -9.4551
BOND 48
1 4 8 1
2 4 9 2
3 5 10 1
4 5 11 1
5 6 12 2
6 6 13 1
7 7 14 1
8 8 15 1
9 10 16 1
10 10 17 2
11 11 18 1
12 14 19 1
13 15 20 2
14 15 21 1
15 16 22 1
16 16 23 2
17 17 24 1
18 18 25 1 #Up
19 19 26 2
20 22 27 1 #Down
21 25 28 2
22 25 29 1
23 26 30 1
24 28 31 1
25 29 32 2
26 31 33 2
27 31 34 1
28 33 35 1
29 35 36 1
30 8 14 2
31 12 17 1
32 18 22 1
33 20 26 1
34 32 33 1
35 3 37 1 #Down
36 1 2 1 #Up
37 1 3 1
38 1 4 1
39 2 5 2
40 2 6 1
41 3 7 1
42 37 38 2
43 37 39 1
44 38 40 1
45 39 41 2
46 40 42 2
47 42 43 1
48 41 42 1
|