ATOM 27
1 C8x C 27.7137 -21.8716
2 C8y C 27.0149 -23.0821
3 C8x C 27.7161 -24.2870
4 C8x C 29.1103 -24.2850
5 C8y C 29.8091 -23.0816
6 C8y C 29.1140 -21.8731
7 C1y C 25.1863 -24.4172
8 C1y C 25.6214 -23.0886
9 O2x O 24.4875 -22.2640
10 C1y C 23.3467 -23.0886
11 C1y C 23.7886 -24.4172
12 O2a O 29.8144 -20.6638
13 O2a O 31.2070 -23.0826
14 C1a C 22.9400 -25.5487
15 C1a C 26.1239 -25.6926
16 C1a C 31.2121 -20.6655
17 C1a C 31.9067 -21.8728
18 C8y C 22.0768 -23.0772
19 C8y C 19.9580 -21.8967
20 C8y C 19.2808 -23.1155
21 C8x C 19.9898 -24.3118
22 C8x C 21.3837 -24.2928
23 C8x C 21.3581 -21.8813
24 O2a O 19.2522 -20.6874
25 O2a O 17.8831 -23.1331
26 C1a C 17.8545 -20.7106
27 C1a C 17.1620 -21.9316
BOND 29
1 11 14 1 #Down
2 6 1 1
3 7 15 1 #Up
4 1 2 2
5 2 3 1
6 3 4 2
7 12 16 1
8 7 8 1
9 13 17 1
10 8 9 1
11 10 18 1 #Up
12 9 10 1
13 10 11 1
14 11 7 1
15 8 2 1 #Up
16 4 5 1
17 5 6 2
18 6 12 1
19 5 13 1
20 19 24 1
21 20 25 1
22 19 20 1
23 20 21 2
24 21 22 1
25 22 18 2
26 18 23 1
27 23 19 2
28 24 26 1
29 25 27 1
|