ATOM 29
1 C2y C 29.5251 -22.6253
2 C1y C 28.2396 -21.9294
3 C1y C 30.7461 -21.9167
4 C2x C 29.5377 -24.0299
5 C1z C 27.1082 -22.6381
6 C1x C 28.2278 -20.5184
7 C1z C 30.7526 -20.5057
8 C1x C 33.1884 -21.9232
9 C1x C 28.3229 -24.7260
10 C1y C 27.1082 -24.0236
11 C1x C 25.8998 -21.9485
12 C1a C 27.1156 -21.2327
13 C1x C 29.5188 -19.8098
14 C1y C 31.9736 -19.7971
15 C1a C 30.6373 -19.0570
16 C1x C 33.1947 -20.5122
17 C1y C 25.8998 -24.7322
18 C1x C 24.7038 -22.6381
19 C1c C 31.9800 -18.4243
20 C5x C 24.7038 -24.0236
21 C1a C 25.8180 -26.1053
22 C1b C 33.1758 -17.7408
23 C1a C 30.7905 -17.7347
24 O5x O 23.5145 -24.7069
25 C1b C 34.3748 -18.4397
26 C1b C 35.5992 -17.7398
27 C1c C 36.8179 -18.4508
28 C1a C 38.0224 -17.7629
29 C1a C 36.8113 -19.8800
BOND 32
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 14 19 1
19 17 20 1
20 17 21 1 #Down
21 19 22 1
22 19 23 1
23 20 24 2
24 7 13 1
25 9 10 1
26 14 16 1
27 18 20 1
28 22 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 27 29 1
| 
