REMARK  Name = BDB016588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.365   0.649  -1.249  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.989   1.224  -1.330  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        2.100   0.384  -0.646  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        2.070  -1.054  -1.176  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1        0.665  -1.644  -1.088  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -0.370  -0.733  -1.753  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        3.409   0.988  -0.907  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        3.550   1.249  -1.886  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1        4.619   0.677  -0.284  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        5.844   0.845  -0.808  0.00  0.00    +0.129 A 
ATOM     11 CL   LIG    1        6.036   1.485  -2.410  0.00  0.00    -0.076 Cl
ATOM     12  C   LIG    1        7.091   0.479  -0.076  0.00  0.00    +0.287 A 
ATOM     13  O   LIG    1        8.200   0.671  -0.572  0.00  0.00    -0.265 OA
ATOM     14  N   LIG    1        6.902  -0.092   1.179  0.00  0.00    -0.231 N 
ATOM     15  C   LIG    1        8.049  -0.458   1.989  0.00  0.00    +0.176 C 
ATOM     16  N   LIG    1        5.677  -0.226   1.781  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        4.641   0.135   1.099  0.00  0.00    +0.157 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -0.935   0.785   0.102  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -5.226  -0.085   0.314  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -4.701   0.884  -0.559  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -3.329   1.167  -0.629  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.415   0.475   0.167  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -2.907  -0.502   1.033  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.282  -0.775   1.096  0.00  0.00    +0.023 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -7.111  -1.096   1.536  0.00  0.00    +0.129 C 
ATOM     26  N   LIG    1       -6.595  -0.378   0.372  0.00  0.00    -0.336 N 
ATOM     27  C   LIG    1       -7.541   0.523  -0.284  0.00  0.00    +0.129 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 5