REMARK  Name = BDB019541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.291   0.783   1.395  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.981   0.976   1.837  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -1.008  -0.002   1.619  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.354  -1.199   0.981  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.663  -1.404   0.515  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -3.627  -0.403   0.735  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.378   0.252   2.093  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        1.384  -0.293   1.324  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.158  -0.625   0.396  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.571   0.935   3.091  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.773   0.020   1.577  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.238   1.145   0.686  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        3.854   0.877  -0.546  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        4.267   1.918  -1.395  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1        4.926   1.588  -2.705  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1        4.043   3.243  -0.991  0.00  0.00    +0.044 A 
ATOM     17 CL   LIG    1        4.518   4.581  -1.977  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        3.421   3.519   0.228  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.017   2.476   1.061  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  21
ATOM     20  C   LIG    1       -5.490   1.686   1.239  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.140   1.820   1.665  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  C   LIG    1       -3.058  -2.694  -0.166  0.00  0.00    +0.158 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.125  -3.080  -1.212  0.00  0.00    -0.332 N 
ATOM     24  C   LIG    1       -1.912  -2.410  -2.384  0.00  0.00    +0.199 A 
ATOM     25  N   LIG    1       -1.004  -3.012  -3.119  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1       -0.633  -4.121  -2.404  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1       -1.319  -4.185  -1.214  0.00  0.00    +0.107 A 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6