ATOM 28
1 C1z C 24.9521 -13.6660
2 C1x C 26.0920 -12.8526
3 C1x C 25.6667 -11.5142
4 C1x C 24.2626 -11.5062
5 C1x C 23.8245 -12.8361
6 O2a O 21.3253 -11.5476
7 C1b C 22.5343 -12.2538
8 C1c C 22.5272 -13.6538
9 C1b C 23.7361 -14.3599
10 C6a C 21.3111 -14.3477
11 O6a O 20.1023 -13.6416
12 O6a O 21.3041 -15.7478
13 C5a C 26.1611 -14.3722
14 N1b N 27.3770 -13.6783
15 O5a O 26.1539 -15.7722
16 C1y C 28.5859 -14.3844
17 C1x C 28.5727 -15.7839
18 C1x C 29.7817 -16.4903
19 C1y C 30.9976 -15.7963
20 C1x C 31.0047 -14.3963
21 C1x C 29.7957 -13.6901
22 C6a C 32.2065 -16.5025
23 C1b C 20.1324 -12.2289
24 C1b C 18.9107 -11.5155
25 O2a O 17.7063 -12.2026
26 C1a C 16.4990 -11.4972
27 O6a O 33.4183 -15.8111
28 O6a O 32.1990 -17.9279
BOND 29
1 4 5 1
2 16 14 1 #Up
3 6 7 1
4 5 1 1
5 8 7 1
6 8 9 1
7 16 17 1
8 17 18 1
9 18 19 1
10 19 20 1
11 20 21 1
12 21 16 1
13 1 2 1
14 19 22 1 #Up
15 8 10 1
16 10 11 1
17 2 3 1
18 10 12 2
19 9 1 1
20 1 13 1
21 3 4 1
22 13 14 1
23 13 15 2
24 6 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 22 27 1
29 22 28 2
|