ATOM 15
1 C8x C 25.9425 -17.3257
2 C8y C 25.9425 -18.7281
3 C8y C 27.1607 -19.4258
4 C8x C 28.3720 -18.7281
5 C8y C 28.3720 -17.3257
6 C8x C 27.1607 -16.6211
7 N1b N 29.5788 -16.6280
8 C5a C 30.7908 -17.3328
9 N1c N 32.0029 -16.6351
10 C1a C 33.2080 -17.3399
11 O2a O 24.7303 -19.4258
12 O5a O 30.7838 -18.7353
13 C1a C 31.9958 -15.2327
14 X Cl 27.1624 -20.8211
15 C1a C 23.5229 -18.7265
BOND 15
1 7 8 1
2 2 3 1
3 8 9 1
4 3 4 2
5 9 10 1
6 4 5 1
7 2 11 1
8 5 6 2
9 6 1 1
10 8 12 2
11 5 7 1
12 9 13 1
13 3 14 1
14 1 2 2
15 11 15 1
|