ATOM 39
1 C8y C 29.6241 -20.2388
2 C1y C 30.9570 -19.8139
3 C8y C 29.6182 -21.6415
4 C8y C 28.4133 -19.5403
5 C1y C 31.7836 -20.9546
6 C6a C 31.3937 -18.4809
7 O2x O 30.9513 -22.0839
8 C8y C 28.4133 -22.3400
9 C8x C 27.1970 -20.2388
10 C2b C 28.4133 -18.1433
11 C8y C 33.1806 -20.9605
12 O6a O 32.7674 -18.2015
13 O6a O 30.4681 -17.4390
14 C8x C 27.1970 -21.6357
15 O1a O 28.4133 -23.7429
16 C2b C 27.2027 -17.4390
17 C8x C 33.8791 -19.7497
18 C8x C 33.8674 -22.1771
19 C7a C 27.2027 -16.0363
20 C8y C 35.2761 -19.7556
21 C8x C 35.2644 -22.1828
22 O7a O 25.9978 -15.3378
23 O6a O 28.4192 -15.3435
24 C8y C 35.9746 -20.9722
25 O1a O 35.9862 -18.5450
26 C1c C 24.7872 -16.0363
27 O1a O 37.3714 -20.9779
28 C1b C 23.5764 -15.3378
29 C6a C 24.7813 -17.4331
30 C8y C 22.3598 -16.0304
31 O6a O 25.9978 -18.1375
32 O6a O 23.5706 -18.1375
33 C8x C 22.2957 -17.4331
34 C8x C 21.1549 -15.3378
35 C8y C 21.1492 -18.1375
36 C8x C 19.9386 -16.0304
37 C8y C 19.9386 -17.4331
38 O1a O 21.1492 -19.5345
39 O1a O 18.7220 -18.1316
BOND 42
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 1
12 6 13 2
13 8 14 2
14 8 15 1
15 10 16 2
16 11 17 1
17 11 18 2
18 16 19 1
19 17 20 2
20 18 21 1
21 19 22 1
22 19 23 2
23 20 24 1
24 20 25 1
25 22 26 1
26 24 27 1
27 26 28 1
28 26 29 1 #Up
29 28 30 1
30 29 31 1
31 29 32 2
32 30 33 1
33 30 34 2
34 33 35 2
35 34 36 1
36 35 37 1
37 35 38 1
38 37 39 1
39 5 7 1
40 9 14 1
41 21 24 2
42 36 37 2
| 
