ATOM 38
1 C1z C 26.8478 -19.4525
2 C1y C 28.1140 -18.7813
3 C1y C 26.8944 -20.8298
4 C1x C 25.7214 -18.7522
5 C4a C 26.9002 -18.0695
6 C1y C 29.2929 -19.4875
7 C1x C 28.1433 -17.4042
8 C1x C 25.6980 -21.5068
9 C1x C 28.0791 -21.5359
10 C1y C 24.5250 -19.4292
11 O4a O 25.9138 -17.0889
12 C1z C 30.5010 -18.8222
13 C1x C 29.2755 -20.8648
14 C1x C 29.3454 -16.7446
15 C1y C 24.5133 -20.8065
16 O2x O 23.3344 -18.7347
17 C1z C 30.5243 -17.4507
18 C1x C 32.8704 -18.7990
19 O1a O 30.4893 -20.1936
20 O2x O 23.3227 -21.5009
21 C1z C 22.1323 -19.4234
22 C1y C 31.7207 -16.7913
23 C1a C 30.5127 -16.0617
24 C1x C 32.8937 -17.4974
25 C1y C 22.1263 -20.8005
26 C1y C 20.9359 -18.7288
27 O1a O 22.1206 -18.0402
28 C2y C 31.7148 -15.4024
29 O2x O 20.9359 -21.4951
30 C1x C 19.7395 -19.4234
31 O1a O 20.9242 -17.3458
32 C2x C 33.0921 -15.4024
33 C1x C 31.2831 -14.0951
34 C1y C 19.7395 -20.8005
35 C7x C 33.5123 -14.0951
36 O7x O 32.4034 -13.2839
37 C1a C 18.5431 -21.4951
38 O6a O 34.8255 -13.6691
BOND 44
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 10 16 1
16 12 17 1
17 12 18 1
18 12 19 1 #Up
19 15 20 1
20 16 21 1
21 17 22 1
22 17 23 1 #Up
23 18 24 1
24 20 25 1
25 21 26 1
26 21 27 1 #Up
27 22 28 1
28 25 29 1
29 26 30 1
30 26 31 1 #Down
31 28 32 2
32 28 33 1
33 29 34 1
34 32 35 1
35 33 36 1
36 34 37 1 #Down
37 35 38 2
38 9 13 1
39 10 15 1
40 14 17 1
41 21 25 1
42 22 24 1
43 30 34 1
44 35 36 1
| 
