ATOM 29
1 C7a C 26.6533 -19.7596
2 C1a C 27.7982 -20.5061
3 O7a O 26.6474 -18.0691
4 O6a O 25.3193 -20.3264
5 O7a O 26.7377 -15.3157
6 C7a C 28.1294 -14.5618
7 C2c C 29.3094 -15.2522
8 O6a O 28.1294 -13.1945
9 C1y C 23.3146 -15.5936
10 C1y C 24.6966 -15.5849
11 C1y C 22.4549 -14.5063
12 O7x O 22.8956 -16.9069
13 C1y C 25.5490 -14.5041
14 C1z C 25.1318 -16.8996
15 C1y C 22.7654 -13.1690
16 C2y C 21.0960 -14.6239
17 C7x C 24.0146 -17.7074
18 C1x C 25.2566 -13.1549
19 C1a C 25.1690 -18.2440
20 C1z C 24.0065 -12.5609
21 C1x C 21.5870 -12.4689
22 C2x C 20.5597 -13.3574
23 C1a C 20.3939 -15.7872
24 O6a O 24.0241 -19.0766
25 C1a C 24.6986 -11.3805
26 O1a O 23.6743 -11.2219
27 C1a C 30.5132 -14.5586
28 C2b C 29.3050 -16.6407
29 C1a C 28.1015 -17.3274
BOND 31
1 5 6 1
2 6 8 2
3 1 2 1
4 6 7 1
5 9 10 1
6 9 11 1
7 9 12 1
8 10 13 1
9 10 14 1
10 11 15 1
11 11 16 1
12 12 17 1
13 13 18 1
14 13 5 1 #Down
15 14 3 1 #Down
16 14 19 1 #Up
17 15 20 1
18 15 21 1
19 16 22 2
20 16 23 1
21 17 24 2
22 20 25 1 #Down
23 20 26 1 #Up
24 14 17 1
25 18 20 1
26 21 22 1
27 7 27 1
28 1 4 2
29 7 28 2
30 1 3 1
31 28 29 1
| 
