ATOM 18
1 N5x N 27.4133 -19.1320
2 C8y C 27.4133 -16.3294
3 C8y C 26.2029 -17.0265
4 C8y C 26.2088 -18.4279
5 C8y C 24.9974 -19.1372
6 C8y C 23.7798 -18.4382
7 C8x C 23.7738 -17.0368
8 C8x C 24.9854 -16.3346
9 C8y C 28.6306 -18.4279
10 C8y C 28.6266 -17.0237
11 C8x C 29.9610 -16.5880
12 C8x C 30.7855 -17.7230
13 O2x O 29.9678 -18.8628
14 O2a O 27.4195 -14.9351
15 C1a C 26.2083 -14.2308
16 O1a O 22.5747 -19.1391
17 O2a O 25.0041 -20.5263
18 C1a C 26.2154 -21.2165
BOND 20
1 8 3 1
2 9 1 2
3 1 4 1
4 3 2 1
5 2 10 2
6 9 10 1
7 10 11 1
8 11 12 2
9 12 13 1
10 13 9 1
11 3 4 2
12 2 14 1
13 4 5 1
14 14 15 1
15 5 6 2
16 6 16 1
17 6 7 1
18 5 17 1
19 7 8 2
20 17 18 1
|