ATOM 30
1 O7a O 27.7589 -16.7030
2 C7a C 29.0110 -15.8847
3 C2c C 30.2137 -16.5760
4 C1a C 31.4164 -15.8847
5 O6a O 29.0110 -14.4947
6 C2a C 30.2137 -17.9658
7 C1z C 26.5938 -13.1800
8 C1y C 25.3808 -12.5647
9 O2x O 26.5794 -11.7807
10 C1x C 26.9505 -14.5305
11 C1a C 27.8024 -12.4781
12 C1x C 23.9807 -12.4959
13 C1y C 26.5904 -15.8828
14 C1y C 22.7649 -13.1856
15 C1y C 25.3669 -16.5703
16 C2y C 22.4185 -14.5032
17 O7a O 21.4534 -11.9850
18 C1y C 23.9818 -16.5630
19 C2y C 25.7851 -17.8989
20 C2x C 22.7731 -15.8617
21 C1a C 21.0206 -14.4964
22 O7x O 23.5381 -17.8796
23 C7x C 24.6545 -18.7012
24 C2a C 27.1119 -18.3439
25 O6a O 24.6429 -20.1020
26 C7a C 20.0914 -12.2917
27 C2c C 19.1437 -11.2654
28 O6a O 19.7533 -13.5619
29 C2a C 19.5587 -9.9317
30 C1a C 17.7810 -11.5731
BOND 32
1 3 6 2
2 1 2 1
3 7 8 1
4 7 9 1
5 7 10 1
6 7 11 1 #Up
7 8 12 1
8 10 13 1
9 12 14 1
10 13 15 1
11 13 1 1 #Up
12 14 16 1
13 14 17 1 #Up
14 15 18 1
15 15 19 1
16 16 20 2
17 16 21 1
18 18 22 1
19 19 23 1
20 19 24 2
21 23 25 2
22 8 9 1
23 18 20 1
24 22 23 1
25 17 26 1
26 3 4 1
27 26 27 1
28 2 5 2
29 26 28 2
30 27 29 2
31 2 3 1
32 27 30 1
| 
