REMARK  Name = BDB030755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.653   4.372  -1.821  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.069   3.265  -1.212  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.645   2.140  -0.707  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.060   1.079  -0.118  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.657  -0.032   0.369  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.054  -0.114   0.296  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.735   0.947  -0.295  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.533   1.135  -0.015  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1       -2.176   0.073   0.640  0.00  0.00    -0.337 N 
ATOM     10  H   LIG    1       -2.677   0.473   1.437  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -3.147  -0.746  -0.103  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -4.447   0.032  -0.363  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -4.226   1.289  -1.196  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -3.571   2.309  -0.437  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1       -2.187   2.200  -0.517  0.00  0.00    +0.207 A 
ATOM     16  C   LIG    1        2.043   2.061  -0.786  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.456   3.341  -1.157  0.00  0.00    +0.295 A 
ATOM     18  O   LIG    1       -2.099   4.286  -1.618  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  19
ATOM     19  C   LIG    1       -3.462  -2.027   0.640  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -2.517  -2.666   1.632  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.803  -2.051   2.113  0.00  0.00    +0.005 C 
ENDBRANCH  11  19
BRANCH   6  22
ATOM     22  N   LIG    1        2.684  -1.278   0.770  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.233  -1.659   1.601  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.962  -1.832   0.530  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        4.625  -2.564   1.532  0.00  0.00    +0.099 A 
ATOM     26 CL   LIG    1        3.859  -2.811   3.067  0.00  0.00    -0.078 Cl
ATOM     27  C   LIG    1        5.891  -3.070   1.246  0.00  0.00    +0.149 A 
ATOM     28 CL   LIG    1        6.821  -3.978   2.377  0.00  0.00    -0.060 Cl
ATOM     29  N   LIG    1        6.529  -2.909   0.063  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        5.869  -2.216  -0.884  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.610  -1.668  -0.700  0.00  0.00    +0.044 A 
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 3