REMARK  Name = BDB060338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.061   0.691  -0.574  0.00  0.00    +0.092 A 
ATOM      2  N   LIG    1       -1.961  -0.144  -0.148  0.00  0.00    -0.166 NA
ATOM      3  N   LIG    1       -3.249   0.273  -0.265  0.00  0.00    -0.226 N 
ATOM      4  C   LIG    1       -3.653   1.497  -0.770  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1       -5.025   1.545  -0.725  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -5.475   0.330  -0.169  0.00  0.00    +0.055 A 
ATOM      7 CL   LIG    1       -6.044   2.808  -1.227  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -2.654   2.401  -1.198  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -4.364  -0.453   0.125  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1       -1.367   2.047  -1.114  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.067  -0.528  -0.283  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1        2.102  -1.015   0.607  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        0.768  -0.612   0.496  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        0.378   0.295  -0.499  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        1.336   0.772  -1.400  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        2.671   0.367  -1.287  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        4.510  -0.960  -0.172  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.740  -0.261   0.397  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        5.356   0.160   0.241  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        5.008   0.519   1.130  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1       -4.310  -1.776   0.703  0.00  0.00    +0.260 C 
ATOM     22  O   LIG    1       -3.344  -2.532   0.715  0.00  0.00    -0.269 OA
ATOM     23  N   LIG    1       -5.467  -2.201   1.301  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -5.394  -3.069   1.814  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -6.201  -1.559   1.555  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4