ATOM 24
1 C8x C 30.7055 -16.2254
2 C8y C 30.7055 -17.6230
3 C8y C 31.9186 -18.3218
4 C8x C 33.1249 -17.6230
5 C8x C 33.1249 -16.2254
6 C8y C 31.9186 -15.5267
7 O2a O 29.4955 -18.3153
8 O1a O 31.9205 -19.7193
9 C2b C 31.9205 -14.1291
10 C2b C 33.1317 -13.4318
11 C6a C 33.1334 -12.0343
12 O6a O 31.9240 -11.3340
13 C1y C 28.2804 -19.0117
14 O2x O 27.0655 -18.3165
15 C1y C 28.2804 -20.4194
16 C1y C 25.8446 -19.0175
17 C1y C 27.0712 -21.1321
18 O1a O 29.4957 -21.0660
19 C1y C 25.8446 -20.4254
20 C1b C 24.6297 -18.3165
21 O1a O 27.0712 -22.5341
22 O1a O 24.6297 -21.1321
23 O1a O 23.4088 -19.0175
24 O6a O 34.3446 -11.3370
BOND 25
1 11 12 1
2 6 1 2
3 2 7 1
4 1 2 1
5 3 8 1
6 2 3 2
7 6 9 1
8 3 4 1
9 9 10 2
10 4 5 2
11 10 11 1
12 13 7 1 #Up
13 13 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 1 #Down
18 16 19 1
19 16 20 1 #Up
20 17 21 1 #Up
21 19 22 1 #Down
22 20 23 1
23 17 19 1
24 5 6 1
25 11 24 2
|