ATOM 59
1 C1x C 16.8135 -17.9300
2 C1y C 16.8135 -19.3253
3 C1z C 17.9996 -20.0230
4 C1y C 19.1856 -19.3253
5 C1z C 19.1856 -17.9300
6 C1x C 17.9996 -17.2324
7 C1x C 20.3716 -20.0230
8 C1x C 21.5576 -19.3253
9 C1z C 21.5576 -17.9300
10 C1y C 20.3716 -17.2324
11 C1z C 22.7436 -17.2324
12 C2y C 22.7436 -15.8371
13 C2x C 21.5576 -15.2092
14 C5x C 20.3716 -15.8371
15 C1x C 23.9296 -17.9300
16 C1x C 25.1854 -17.2324
17 C1z C 25.1854 -15.8371
18 C1y C 23.9296 -15.2092
19 C1x C 26.3714 -15.2092
20 C1x C 26.3714 -13.8138
21 C1z C 25.1854 -13.1162
22 C1x C 23.9296 -13.8138
23 O2a O 15.5578 -17.2324
24 C1y C 14.3717 -17.9300
25 C1y C 14.3717 -19.3253
26 O2a O 15.5578 -20.0230
27 C1y C 13.1857 -17.2324
28 C1y C 11.9997 -17.9300
29 C1y C 11.9997 -19.3253
30 O2x O 13.1857 -20.0230
31 C6a C 26.3714 -12.4185
32 O6a O 26.3714 -11.0232
33 C1a C 23.9296 -12.4185
34 O6a O 27.5575 -13.1162
35 C1a C 26.3714 -16.5347
36 C1a C 22.7436 -18.6277
37 C1a C 19.1856 -16.5347
38 C1a C 23.3715 -16.4649
39 O5x O 19.1856 -15.2092
40 C6a C 10.8137 -20.0230
41 O1a O 13.1857 -15.8371
42 O1a O 10.8137 -17.2324
43 C1y C 15.5578 -14.9301
44 O2x O 16.8135 -14.2324
45 C1y C 16.8135 -12.8371
46 C1y C 15.6275 -12.1395
47 C1y C 14.3717 -12.8371
48 C1y C 14.3717 -14.2324
49 O1a O 13.1857 -12.1395
50 C6a C 17.9996 -12.1395
51 O1a O 15.6275 -10.7442
52 O1a O 13.1857 -14.9301
53 O6a O 9.6277 -19.3253 #-
54 O6a O 10.8137 -21.4183
55 O6a O 19.1856 -12.8371
56 O6a O 17.9996 -10.7442
57 C1a C 17.9996 -21.6974
58 C1a C 16.8135 -20.9997
59 Z K 8.5400 -18.3400 #+
BOND 64
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 24 23 1 #Up
28 24 25 1
29 25 26 1 #Down
30 2 26 1 #Up
31 24 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 25 30 1
36 21 31 1 #Up
37 31 32 2
38 21 33 1 #Down
39 31 34 1
40 17 35 1 #Up
41 9 36 1 #Up
42 5 37 1 #Up
43 11 38 1 #Down
44 14 39 2
45 29 40 1 #Down
46 27 41 1 #Down
47 28 42 1 #Up
48 43 23 1 #Up
49 43 44 1
50 44 45 1
51 45 46 1
52 46 47 1
53 47 48 1
54 43 48 1
55 47 49 1 #Up
56 45 50 1 #Up
57 46 51 1 #Down
58 48 52 1 #Down
59 40 53 1
60 40 54 2
61 50 55 1
62 50 56 2
63 3 57 1
64 3 58 1
| 
