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# Name: pyrazole
# Creating user name: stiefni2
# Creation time: Tue May 20 15:28:19 2008
# Modifying user name: stiefni2
# Modification time: Tue May 20 15:29:07 2008
@<TRIPOS>MOLECULE
pyrazole
9 9 1 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 N1 1.5019 1.0435 0.0000 N.pl3 1 PYRAZOLE 0.0000
2 N2 0.3286 1.7101 0.0000 N.2 1 PYRAZOLE 0.0000
3 C1 -0.6420 0.8940 0.0000 C.2 1 PYRAZOLE 0.0000
4 C2 -0.0361 -0.4441 0.0000 C.2 1 PYRAZOLE 0.0000
5 C3 1.2851 -0.2406 0.0000 C.2 1 PYRAZOLE 0.0000
6 H1 2.4317 1.4886 0.0000 H 1 PYRAZOLE 0.0000
7 H2 -1.7035 1.1370 0.0000 H 1 PYRAZOLE 0.0000
8 H3 -0.5586 -1.4001 0.0000 H 1 PYRAZOLE 0.0000
9 H4 2.0469 -1.0204 0.0000 H 1 PYRAZOLE 0.0000
@<TRIPOS>BOND
1 1 2 1
2 1 5 1
3 1 6 1
4 5 4 2
5 5 9 1
6 4 3 1
7 4 8 1
8 3 2 2
9 3 7 1
@<TRIPOS>SUBSTRUCTURE
1 PYRAZOLE 1 PERM 0 **** **** 0 ROOT
# Name: pyridine
# Creating user name: stiefni2
# Creation time: Tue May 20 15:26:21 2008
# Modifying user name: stiefni2
# Modification time: Tue May 20 15:26:21 2008
@<TRIPOS>MOLECULE
pyridine
11 11 1 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 N1 -9.4200 -3.6600 -0.2350 N.ar 1 PYRIDINE 0.0000
2 C1 -8.2426 -4.3192 -0.2335 C.ar 1 PYRIDINE 0.0000
3 C2 -8.2142 -5.7168 -0.2340 C.ar 1 PYRIDINE 0.0000
4 C3 -9.4200 -6.4228 -0.2338 C.ar 1 PYRIDINE 0.0000
5 C4 -10.6258 -5.7169 -0.2334 C.ar 1 PYRIDINE 0.0000
6 C5 -10.5975 -4.3192 -0.2342 C.ar 1 PYRIDINE 0.0000
7 H1 -7.3165 -3.7544 -0.2318 H 1 PYRIDINE 0.0000
8 H2 -7.2669 -6.2472 -0.2346 H 1 PYRIDINE 0.0000
9 H3 -9.4200 -7.5084 -0.2338 H 1 PYRIDINE 0.0000
10 H4 -11.5730 -6.2472 -0.2324 H 1 PYRIDINE 0.0000
11 H5 -11.5235 -3.7543 -0.2341 H 1 PYRIDINE 0.0000
@<TRIPOS>BOND
1 1 2 ar
2 1 6 ar
3 6 5 ar
4 6 11 1
5 5 4 ar
6 5 10 1
7 4 3 ar
8 4 9 1
9 3 2 ar
10 3 8 1
11 2 7 1
@<TRIPOS>SUBSTRUCTURE
1 PYRIDINE 1 PERM 0 **** **** 0 ROOT
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