ATOM 38
1 C1z C 26.8859 -19.4389
2 C1y C 28.0876 -18.7621
3 C1y C 26.8684 -20.8156
4 C1x C 25.7016 -18.7389
5 C4a C 26.8742 -18.0505
6 C1y C 29.2719 -19.4739
7 C1x C 28.0409 -17.3913
8 C1x C 25.6782 -21.4924
9 C1x C 28.0468 -21.5217
10 C1y C 24.5056 -19.4157
11 O4a O 25.6725 -17.3622
12 C1z C 30.4677 -18.8030
13 C1x C 29.2543 -20.8506
14 C1x C 29.3185 -16.7262
15 C1y C 24.4882 -20.7923
16 O2x O 23.3039 -18.7155
17 C1z C 30.4270 -17.4380
18 C1x C 32.8422 -18.8497
19 O1a O 30.4620 -20.1799
20 O2x O 23.2922 -21.4807
21 C1z C 22.1079 -19.4040
22 C1y C 31.6929 -16.7729
23 C1a C 30.4853 -16.0495
24 C1x C 32.8013 -17.4787
25 C1y C 22.1020 -20.7865
26 C5x C 20.9177 -18.7155
27 O1a O 22.0963 -18.0213
28 C2y C 31.7163 -15.3961
29 O2x O 20.9177 -21.4750
30 C1x C 19.7101 -19.4040
31 O5x O 20.9177 -17.3329
32 C2x C 33.0931 -15.3902
33 C1x C 31.2963 -14.0893
34 C1y C 19.7101 -20.7865
35 C7x C 33.5246 -14.0834
36 O7x O 32.4048 -13.2785
37 C1a C 18.5202 -21.4750
38 O6a O 34.8374 -13.6575
BOND 44
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 10 16 1
16 12 17 1
17 12 18 1
18 12 19 1 #Up
19 15 20 1
20 16 21 1
21 17 22 1
22 17 23 1 #Up
23 18 24 1
24 20 25 1
25 21 26 1
26 21 27 1 #Up
27 22 28 1
28 25 29 1
29 26 30 1
30 26 31 2
31 28 32 2
32 28 33 1
33 29 34 1
34 32 35 1
35 33 36 1
36 34 37 1 #Down
37 35 38 2
38 9 13 1
39 10 15 1
40 14 17 1
41 21 25 1
42 22 24 1
43 30 34 1
44 35 36 1
| 
