REMARK  Name = BDB003788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.193   0.913   0.109  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        1.549   0.372   1.221  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        0.198   0.007   1.156  0.00  0.00    +0.064 A 
ATOM      4 CL   LIG    1       -0.497  -0.635   2.605  0.00  0.00    -0.082 Cl
ATOM      5  C   LIG    1       -0.543   0.181  -0.031  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.121   0.750  -1.131  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.469   1.115  -1.063  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -1.892  -0.137  -0.222  0.00  0.00    -0.324 N 
ATOM      9  C   LIG    1       -2.842   0.845   0.328  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1       -4.273   0.395  -0.009  0.00  0.00    +0.178 C 
ATOM     11  O   LIG    1       -4.629  -0.893   0.520  0.00  0.00    -0.377 OA
ATOM     12  C   LIG    1       -3.497  -1.693   0.891  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -2.297  -1.549  -0.061  0.00  0.00    +0.133 C 
ENDBRANCH   5   8
BRANCH   1  15
ATOM     14  C   LIG    1        4.398   0.378  -0.122  0.00  0.00    +0.218 C 
ATOM     15  N   LIG    1        3.539   1.294   0.183  0.00  0.00    -0.236 NA
BRANCH  14  16
ATOM     16  N   LIG    1        5.753   0.573  -0.109  0.00  0.00    -0.258 N 
ATOM     17  H   LIG    1        6.013   1.403   0.424  0.00  0.00    +0.195 HD
BRANCH  16  18
ATOM     18  O   LIG    1        6.464  -0.577   0.233  0.00  0.00    -0.288 OA
ATOM     19  H   LIG    1        6.949  -0.788  -0.588  0.00  0.00    +0.244 HD
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  15
TORSDOF 4