[ moleculetype ]
; name, excl
 Praziquantel    3

[atoms]
; 47 atoms
; id, atype, resnr, resname, aname, cgnr, charge, mass
 1    CCCC     1      UNK     C1     4	 0.0
 2    CCCC     1      UNK     C2     4	 0.0
 3    CCCH     1      UNK     C3     4	 0.0
 4    CCCH     1      UNK     C4     4	 0.0
 5    CCCH     1      UNK     C5     4	 0.0
 6    CCCH     1      UNK     C6     4	 0.0
 7    CCCHH    1      UNK     C7     4	 0.0
 8    HC       1      UNK     H8     5	 0.0
 9    HC       1      UNK     H9     5	 0.0
10    HC       1      UNK     H10    5	 0.0
11    HC       1      UNK     H11    5	 0.0
12    CCCNH    1      UNK     C12    5	 0.0
13    CCNHH    1      UNK     C13    5	 0.0
14    NC3      1      UNK     N14    5	 0.0
15    CCNHH    1      UNK     C15    5	 0.0
16    NC3      1      UNK     N16    5	 0.0
17    HC       1      UNK     H17    5	 0.0
18    HC       1      UNK     H18    5	 0.0
19    CCNHH    1      UNK     C19    5	 0.0
20    CONC     1      UNK     C20    4	 0.0
21    OC2      1      UNK     O21    4	 0.0
22    HC       1      UNK     H22    4	 0.0
23    HC       1      UNK     H23    4 	 0.0
24    HC       1      UNK     H24    4 	 0.0
25    HC       1      UNK     H25    4   0.0
26    HC       1      UNK     H26    4	 0.0
27    HC       1      UNK     H27    5	 0.0
28    HC       1      UNK     H28    5	 0.0
29    CONC     1      UNK     C29    5	 0.0
30    OC2      1      UNK     O30    5	 0.0
31    CCCH     1      UNK     C31    5	 0.0
32    CCHH     1      UNK     C32    5   0.0
33    CCHH     1      UNK     C33    5	 0.0
34    CCHH     1      UNK     C34    5	 0.0
35    CCHH     1      UNK     C35    5	 0.0
36    CCHH     1      UNK     C36    5	 0.0
37    HC       1      UNK     H37    5	 0.0
38    HC       1      UNK     H38    5   0.0          
39    HC       1      UNK     H39    3	 0.0
40    HC       1      UNK     H40    3	 0.0
41    HC       1      UNK     H41    3	 0.0
42    HC       1      UNK     H42    3	 0.0
43    HC       1      UNK     H43    3   0.0                   
44    HC       1      UNK     H44    3   0.0                 
45    HC       1      UNK     H45    3   0.0                  
46    HC       1      UNK     H46    3   0.0                  
47    HC       1      UNK     H47    3   0.0                  

[ bonds ]
; 26 bonds
; i, j, func		 
 1     2    1
 1     6    1
 1     12   1
 2     3    1
 2     7    1
 3     4    1
 4     5    1
 5     6    1
 7    19    1
 12   13    1
 12   16    1
 13   14    1
 14   15    1
 14   29    1
 15   20    1
 16   20    1
 16   19    1
 20   21    1
 29   30    1
 29   31    1
 31   32    1
 31   36    1
 32   33    1
 33   34    1
 34   35    1
 35   36    1
 
; Bonds with H
 3     8    1
 4     9    1
 5    10    1
 6    11    1
 7    22    1
 7    23    1
12    24    1
13    17    1
13    25    1
15    18    1
15    26    1
19    27    1
19    28    1
31    37    1
32    38    1
32    39    1
33    40    1
33    41    1
34    42    1
34    43    1
35    44    1
35    45    1
36    46    1
36    47    1

[ angles ]
; 29 angles, ? skipped
; i, j, k, func
  1     2     3    1
  2     3     4    1
  3     4     5    1
  4     5     6    1
  5     6     1    1
  6     1     2    1
  1     2     7    1
  1    12    16    1
  1    12    13    1
  2     7    19    1
  7    19    16    1
 13    12    16    1
 19    16    20    1
 16    20    21    1
 21    20    15    1
 20    15    14    1
 13    14    29    1
 13    14    15    1
 15    14    29    1
 30    29    31    1
 29    31    36    1
 29    31    32    1
 32    33    34    1
 31    36    35    1
 33    34    35    1
 34    35    36    1
 35    36    31    1
 36    31    29    1
 36    31    32    1
 
;Angles with H
  8     3     2    1
  8     3     4    1
  9     4     3    1
  9     4     5    1
 10     5     4    1
 10     5     6    1
 11     6     5    1
 11     6     1    1
 17    13    25    1
 17    13    12    1
 17    13    14    1
 18    15    20    1
 18    15    14    1
 22     7     2    1
 22     7    23    1
 22     7    19    1
 23     7     2    1
 23     7    19    1
 25    13    12    1
 25    13    14    1
 26    15    18    1
 26    15    20    1
 26    15    14    1
 27    19     7    1
 27    19    28    1
 27    19    16    1
 28    19     7    1
 28    19    16    1
 37    31    29    1
 37    31    36    1
 37    31    32    1
 38    32    39    1
 38    32    31    1
 38    32    33    1
 39    32    31    1
 39    32    33    1
 40    33    41    1
 40    33    32    1
 40    33    34    1 
 41    33    32    1
 41    33    34    1    
 42    34    43    1
 42    34    33    1
 42    34    35    1
 43    34    33    1
 43    34    35    1
 44    35    45    1
 44    35    34    1
 44    35    36    1
 45    35    34    1
 45    35    36    1
 46    36    47    1
 46    36    35    1
 46    36    31    1
 47    36    31    1
 47    36    35    1

[ dihedrals ]
; 13 proper types
;i, j, k, l, func
 1    12    13    14    1 
 7     2     1     6    1
 7     2     3     4    1
12     1     6     5    1
12    13    14    29    1    
15    20    16    19    1
15    14    29    31    1
19    16    12    13    1
19     7     2     3    1
20    16    12     1    1
20    16    19     7    1
20    15    14    29    1
29    31    36    35    1 

[dihedrals with H]
; 4 proper types
; i, j, k, l, func
 38   32   31    37     1
 41   33   34    35     1
 43   34   33    32     1
 44   35   36    46     1