ATOM 53
1 C1y C 10.3481 -18.8531
2 C1y C 10.3481 -20.2476
3 O2x O 11.5560 -18.1470
4 C1b C 9.1403 -18.1470
5 C1y C 11.5560 -20.9478
6 O1a O 9.1403 -20.9478
7 C1y C 12.7755 -18.8472
8 O1a O 8.0724 -19.0515
9 C1y C 12.7755 -20.2476
10 O1a O 11.5617 -22.3483
11 O1a O 13.9891 -20.9478
12 C1y C 22.5194 -14.7336
13 O2x O 22.5194 -16.0879
14 C1x C 23.6924 -16.7652
15 C1y C 24.8654 -16.0879
16 C1y C 24.8654 -14.7336
17 C1y C 23.6924 -14.0563
18 O1a O 26.0565 -16.7758
19 O1a O 26.0565 -14.0457
20 O1a O 23.6924 -12.7021
21 C8y C 17.0809 -14.1112
22 C8y C 17.0752 -15.4707
23 C8y C 18.2649 -13.4315
24 O2x O 15.9084 -13.4201 #+
25 O2a O 18.0780 -16.9007
26 C8x C 15.8971 -16.1446
27 C8x C 19.4429 -14.1168
28 C8x C 18.2649 -12.0665
29 C8y C 14.7246 -14.0999
30 C1y C 19.4202 -18.1902
31 C8y C 14.7189 -15.4594
32 C8y C 20.6267 -13.4370
33 C8y C 19.4486 -11.3868
34 C8x C 13.5464 -13.4146
35 O2x O 19.4202 -19.5438
36 C1y C 20.5986 -17.5103
37 C8y C 13.5464 -16.1390
38 C8y C 20.6324 -12.0720
39 R R 21.7993 -14.1168
40 C8y C 12.3682 -14.0999
41 C1y C 20.5986 -20.2235
42 C1y C 21.7653 -18.1902
43 O2a O 20.6662 -16.0216
44 C8x C 12.3682 -15.4594
45 O2a O 13.5464 -17.4927
46 O1a O 21.8048 -11.3980
47 O1a O 11.1957 -13.4259
48 C1y C 21.7653 -19.5438
49 C1b C 20.5986 -21.5774
50 O1a O 22.9433 -17.5103
51 O1a O 22.9433 -20.2180
52 O1a O 19.4259 -22.2572
53 R R 19.4517 -10.0648
BOND 58
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 9 11 1 #Down
11 7 9 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 12 17 1
18 15 18 1 #Down
19 16 19 1 #Up
20 17 20 1 #Down
21 21 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 22 26 2
26 23 27 2
27 23 28 1
28 24 29 1
29 30 25 1 #Up
30 26 31 1
31 27 32 1
32 28 33 2
33 29 34 1
34 30 35 1
35 30 36 1
36 31 37 1
37 32 38 2
38 32 39 1
39 34 40 2
40 35 41 1
41 36 42 1
42 36 43 1 #Down
43 37 44 2
44 37 45 1
45 38 46 1
46 40 47 1
47 41 48 1
48 41 49 1 #Up
49 42 50 1 #Up
50 48 51 1 #Down
51 49 52 1
52 29 31 2
53 33 38 1
54 40 44 1
55 42 48 1
56 33 53 1
57 12 43 1 #Up
58 7 45 1 #Up
|