REMARK  Name = BDB043214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.955  -0.533  -0.403  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        2.242   0.730  -0.046  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.220   1.552   0.226  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -0.062   1.179   0.170  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -0.357  -0.087  -0.169  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.653  -0.973  -0.483  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.694  -0.465  -0.237  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.697   0.587  -0.027  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -4.117   0.038  -0.294  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.507  -1.139   0.516  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.451  -0.781   1.570  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.323  -1.815   1.087  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.088  -1.830   0.155  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1        3.069  -1.330  -0.680  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        3.895  -0.757  -0.562  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1        5.161  -5.626  -1.929  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        4.252  -4.515  -1.576  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1        2.897  -4.666  -1.510  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        2.351  -5.504  -1.683  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        2.245  -3.546  -1.171  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1        3.203  -2.628  -1.018  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1        4.481  -3.195  -1.259  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1        1.599   2.846   0.580  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1        2.606   2.903   0.551  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        0.902   4.005   0.936  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        1.638   5.164   1.234  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        0.996   6.351   1.597  0.00  0.00    +0.043 A 
ATOM     28 CL   LIG    1        1.930   7.751   1.956  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -0.391   6.410   1.671  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.137   5.272   1.379  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -0.492   4.084   1.016  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5