ATOM 24
1 C2x C 36.4800 -10.4847
2 C2y C 37.5767 -9.6210
3 C1x C 38.9421 -9.9324
4 C1y C 39.5440 -11.1856
5 C1y C 36.4800 -11.8937
6 C1y C 38.9430 -12.4529
7 C1y C 37.5767 -12.7645
8 C1x C 35.1400 -10.0493
9 C1x C 34.3118 -11.1892
10 C1z C 35.1400 -12.3291
11 C1a C 37.2628 -8.2288
12 O7a O 40.9499 -11.1821
13 C1c C 39.8133 -13.5380
14 O7a O 37.2725 -14.1035
15 C1a C 34.7100 -13.6523
16 O2x O 36.1423 -13.3914
17 C1a C 41.2174 -13.3227
18 C1a C 39.3171 -14.8127
19 C7a C 36.9102 -15.4558
20 C1a C 35.5355 -15.8240
21 O6a O 37.8969 -16.4427
22 C7a C 42.3499 -11.1821
23 C1a C 43.0577 -12.4079
24 O6a O 43.0422 -9.9831
BOND 25
1 3 4 1
2 4 6 1
3 2 3 1
4 5 7 1
5 1 2 2
6 6 7 1
7 1 8 1
8 8 9 1
9 9 10 1
10 5 10 1
11 2 11 1
12 4 12 1 #Down
13 6 13 1 #Up
14 7 14 1 #Up
15 10 15 1 #Down
16 10 16 1 #Up
17 5 16 1 #Up
18 13 17 1
19 13 18 1
20 14 19 1
21 19 20 1
22 19 21 2
23 12 22 1
24 22 23 1
25 22 24 2
|