ATOM 33
1 C1z C 25.3890 -16.4045
2 C2y C 24.2824 -17.0736
3 C1z C 25.4014 -15.0550
4 C1x C 27.8063 -16.3527
5 C1a C 25.4475 -17.7657
6 C2y C 23.1116 -16.3871
7 C1x C 24.2824 -18.4289
8 C1y C 26.6471 -14.3802
9 C1x C 24.3054 -14.3629
10 C1a C 25.4590 -13.6939
11 C1x C 27.8121 -15.0666
12 C1z C 21.9352 -17.0620
13 C1x C 23.1241 -15.0319
14 C1x C 23.1001 -19.1037
15 C1c C 26.6405 -12.7169
16 C1y C 21.9293 -18.4173
17 C1x C 20.7585 -16.3815
18 C1a C 21.9236 -15.7009
19 C1b C 27.8006 -11.9988
20 C6a C 25.4532 -12.0104
21 C1z C 20.7585 -19.1037
22 C1x C 19.5821 -17.0620
23 C1b C 28.9829 -12.6678
24 O6a O 24.2767 -12.6678
25 O6a O 25.4475 -10.6435
26 C1y C 19.5821 -18.4173
27 C1a C 21.4966 -20.5509
28 C1a C 20.0664 -20.5509
29 C2b C 30.1538 -11.9929
30 O1a O 18.3998 -19.0922
31 C2c C 31.3245 -12.6619
32 C1a C 32.5009 -11.9873
33 C1a C 31.3245 -14.0231
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1 #Down
10 4 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 12 16 1
16 12 17 1
17 12 18 1 #Up
18 15 19 1
19 15 20 1 #Up
20 16 21 1
21 17 22 1
22 19 23 1
23 20 24 1
24 20 25 2
25 21 26 1
26 21 27 1
27 21 28 1
28 23 29 1
29 26 30 1 #Down
30 29 31 2
31 31 32 1
32 31 33 1
33 8 11 1
34 9 13 1
35 14 16 1
36 22 26 1
| 
