ATOM 23
1 C1y C 25.7306 -18.3094
2 C8y C 24.2817 -19.0881
3 N1y N 26.9634 -18.9118
4 C1x C 25.7593 -16.8367
5 C8y C 24.3226 -20.4904
6 C8x C 23.0484 -18.4211
7 C1x C 28.1617 -18.2218
8 C5x C 27.2508 -20.2269
9 C1x C 26.9576 -16.1418
10 C2x C 25.0585 -21.3612
11 C8x C 23.1244 -21.2145
12 C8x C 21.8631 -19.1580
13 C1y C 28.1617 -16.8367
14 C2x C 26.3804 -21.3259
15 O5x O 28.5061 -20.6532
16 C8x C 21.8340 -20.5546
17 C1y C 29.3539 -16.1535
18 N1y N 30.5521 -16.8425
19 C1x C 29.3539 -14.7684
20 C1x C 31.7504 -16.1535
21 C1a C 30.5463 -18.2276
22 C1x C 30.5521 -14.0784
23 C1x C 31.7504 -14.7684
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 8 14 1
14 8 15 2
15 11 16 2
16 13 17 1
17 17 18 1
18 17 19 1
19 18 20 1
20 18 21 1
21 19 22 1
22 20 23 1
23 9 13 1
24 10 14 2
25 12 16 1
26 22 23 1
|