REMARK  Name = BDB030741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.387  -4.180  -1.285  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.170  -2.850  -1.089  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1       -0.666  -1.783  -0.649  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.122  -0.501  -0.471  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.981   0.560  -0.114  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.350   0.370   0.119  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.863  -0.915  -0.032  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.326  -0.284  -0.683  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1        1.879   0.956  -0.349  0.00  0.00    -0.334 N 
ATOM     10  H   LIG    1        1.454   1.374   0.474  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1        3.337   1.125  -0.407  0.00  0.00    +0.111 C 
ATOM     12  C   LIG    1        3.891   0.208  -1.510  0.00  0.00    +0.251 C 
ATOM     13  O   LIG    1        3.458  -1.154  -1.391  0.00  0.00    -0.483 OA
ATOM     14  C   LIG    1        2.088  -1.291  -1.162  0.00  0.00    +0.207 A 
ATOM     15  C   LIG    1       -2.036  -1.978  -0.411  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        1.512  -2.654  -1.400  0.00  0.00    +0.295 A 
ATOM     17  O   LIG    1        2.235  -3.549  -1.842  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  18
ATOM     18  C   LIG    1        3.971   0.940   0.983  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        4.090  -0.441   1.685  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.573  -0.478   1.281  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        5.516   1.049   1.098  0.00  0.00    +0.005 C 
ENDBRANCH  11  18
BRANCH   6  22
ATOM     22  N   LIG    1       -3.149   1.486   0.435  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -2.630   2.222   0.910  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.529   1.735   0.255  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1       -5.243   2.560   1.145  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1       -6.606   2.725   0.935  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1       -7.604   3.704   1.943  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1       -7.300   2.145  -0.070  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1       -6.601   1.361  -0.911  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1       -5.242   1.127  -0.786  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.587   3.208   2.235  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -3.998   3.725   3.091  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 4