ATOM 24
1 C8y C 26.0693 -17.0533
2 C8y C 27.2796 -16.3516
3 C8y C 26.0052 -18.4566
4 C8y C 24.8474 -16.3516
5 C1y C 28.4900 -17.0591
6 C8y C 27.2856 -14.9483
7 C8y C 27.2739 -19.1466
8 C8y C 24.8648 -19.1466
9 C8y C 24.8531 -14.9542
10 O2x O 23.5141 -16.7844
11 C1x C 28.4900 -18.4566
12 N1y N 29.7180 -16.3633
13 C8x C 26.0693 -14.2466
14 C1x C 28.5076 -14.2526
15 C8x C 27.2739 -20.5382
16 C8y C 24.8648 -20.5323
17 O1a O 23.6428 -18.4390
18 O2x O 23.5258 -14.5156
19 C1x C 22.7013 -15.6500
20 C1x C 29.7238 -14.9600
21 C1a C 30.9284 -17.0650
22 C8x C 26.0693 -21.2340
23 O2a O 23.6370 -21.2223
24 C1a C 22.4336 -20.5087
BOND 28
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 2
16 8 17 1
17 9 18 1
18 10 19 1
19 12 20 1
20 12 21 1
21 15 22 2
22 16 23 1
23 7 11 1
24 9 13 1
25 14 20 1
26 16 22 1
27 18 19 1
28 23 24 1
|