ATOM 37
1 C8y C 25.5044 -17.4109
2 C8y C 25.4987 -18.8025
3 C8x C 24.3060 -16.7210
4 O2x O 26.7090 -16.7269
5 C8y C 26.6973 -19.5100
6 C8y C 24.3060 -19.5041
7 C8y C 23.0957 -17.4109
8 C8x C 27.9133 -17.4226
9 C8y C 27.9076 -18.8142
10 O5x O 26.6915 -20.9016
11 C8y C 23.0957 -18.8025
12 O1a O 24.3060 -20.8957
13 O2a O 21.8386 -16.5808
14 C8y C 29.1062 -19.5217
15 O2a O 21.8854 -19.5041
16 C1y C 20.4237 -15.8090
17 C8x C 30.3105 -18.8259
18 C8x C 29.0945 -20.9074
19 C1a C 21.8854 -20.8957
20 O2x O 20.4703 -14.4233
21 C1y C 19.2251 -16.5282
22 C8y C 31.5151 -19.5217
23 C8y C 30.2988 -21.6090
24 C1y C 19.1783 -13.7509
25 C1y C 18.0148 -15.8558
26 O1a O 19.2542 -17.9196
27 C8y C 31.5091 -20.9191
28 O2a O 32.7253 -18.8318
29 O1a O 30.2931 -23.0005
30 C1y C 17.9856 -14.4642
31 C1b C 19.1491 -12.3593
32 O1a O 16.8221 -16.5808
33 O2a O 32.7136 -21.6149
34 C1a C 33.9239 -19.5334
35 O1a O 16.7694 -13.7919
36 O1a O 20.3477 -11.6343
37 C1a C 33.9180 -20.9250
BOND 40
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 6 12 1
12 7 13 1
13 9 14 1
14 11 15 1
15 16 13 1 #Up
16 14 17 1
17 14 18 2
18 15 19 1
19 16 20 1
20 16 21 1
21 17 22 2
22 18 23 1
23 20 24 1
24 21 25 1
25 21 26 1 #Down
26 22 27 1
27 22 28 1
28 23 29 1
29 24 30 1
30 24 31 1 #Up
31 25 32 1 #Up
32 27 33 1
33 28 34 1
34 30 35 1 #Down
35 31 36 1
36 33 37 1
37 7 11 1
38 8 9 2
39 23 27 2
40 25 30 1
| 
