REMARK  Name = BDB042402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.572   0.698   0.137  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.760   0.401  -0.245  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.758   1.374  -0.114  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -1.468   2.635   0.427  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -0.154   2.909   0.831  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.856   1.953   0.687  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.984  -2.337   0.918  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        4.396  -1.024   0.668  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        3.837  -0.959  -0.703  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.703   0.079  -0.846  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        1.548  -0.320  -0.007  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        1.915  -0.949   1.288  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        3.382  -0.671   1.686  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1       -2.502   3.648   0.579  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.617   3.759  -0.228  0.00  0.00    +0.203 A 
ATOM     16  O   LIG    1       -4.391   4.809   0.153  0.00  0.00    -0.470 OA
ATOM     17  C   LIG    1       -3.775   5.386   1.214  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -2.611   4.718   1.514  0.00  0.00    +0.049 A 
ENDBRANCH   4  14
BRANCH   2  19
ATOM     19  N   LIG    1       -1.001  -0.869  -0.836  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1       -0.144  -1.417  -0.719  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.127  -1.715  -0.657  0.00  0.00    +0.148 A 
ATOM     22  C   LIG    1       -2.131  -2.921  -1.365  0.00  0.00    +0.102 A 
ATOM     23  C   LIG    1       -3.208  -3.743  -1.059  0.00  0.00    +0.155 A 
ATOM     24 CL   LIG    1       -3.352  -5.316  -1.754  0.00  0.00    -0.060 Cl
ATOM     25  N   LIG    1       -4.238  -3.425  -0.257  0.00  0.00    -0.222 NA
ATOM     26  C   LIG    1       -4.152  -2.217   0.300  0.00  0.00    +0.225 A 
ATOM     27  N   LIG    1       -3.148  -1.344   0.142  0.00  0.00    -0.219 NA
BRANCH  22  28
ATOM     28  N   LIG    1       -1.013  -3.333  -2.134  0.00  0.00    -0.353 N 
ATOM     29  H   LIG    1       -0.560  -2.533  -2.577  0.00  0.00    +0.143 HD
ATOM     30  H   LIG    1       -1.255  -4.059  -2.807  0.00  0.00    +0.143 HD
ENDBRANCH  22  28
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5