ATOM 31
1 C8y C 28.9538 -15.3044
2 C1y C 29.0006 -16.6946
3 C8y C 30.1689 -14.6209
4 C8y C 27.7564 -14.5918
5 C1y C 27.7156 -17.3721
6 O7a O 30.1279 -17.4129
7 C8y C 30.1922 -13.2309
8 O7x O 31.3603 -15.3335
9 O2x O 26.5416 -15.2693
10 C8x C 27.7741 -13.1959
11 C1z C 26.5241 -16.6595
12 O7a O 27.6922 -18.7680
13 C7a C 30.1104 -18.8090
14 C8x C 28.9889 -12.5124
15 C8x C 31.4071 -12.5534
16 C8y C 32.6453 -14.6560
17 C1a C 25.1457 -15.8884
18 C1a C 25.2974 -17.3370
19 C7a C 26.4715 -19.4515
20 C2b C 31.3078 -19.5274
21 O6a O 28.8896 -19.4923
22 C8x C 32.5987 -13.2717
23 O6a O 33.7727 -15.3803
24 C2b C 25.2741 -18.7330
25 O6a O 26.4481 -20.8474
26 C2c C 32.5286 -18.8498
27 C2c C 24.0533 -19.4105
28 C1a C 33.7260 -19.5682
29 C1a C 32.5520 -17.4539
30 C1a C 22.8559 -18.6921
31 C1a C 24.0999 -20.8066
BOND 33
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1 #Up
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 11 17 1
17 11 18 1
18 12 19 1
19 13 20 1
20 13 21 2
21 15 22 2
22 16 23 2
23 19 24 1
24 19 25 2
25 20 26 2
26 24 27 2
27 26 28 1
28 26 29 1
29 27 30 1
30 27 31 1
31 9 11 1
32 10 14 2
33 16 22 1
| 
