REMARK  Name = BDB034721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.461  -5.031   2.026  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.516  -3.800   1.294  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.590  -3.019   0.937  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.121  -1.893   0.262  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.976  -0.916  -0.209  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.352  -1.081   0.006  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.812  -2.232   0.695  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.277  -1.981   0.195  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.933  -3.217   1.165  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.694  -3.160   0.854  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.843  -3.541   1.013  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.301  -0.110  -0.384  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        4.213  -0.513  -0.594  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.164   1.274  -0.640  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        3.943   1.918  -1.620  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        3.717   3.268  -1.851  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        4.591   4.184  -3.021  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        2.795   4.012  -1.199  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        2.063   3.381  -0.263  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        2.207   2.038   0.041  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.935   1.204  -2.359  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        5.737   0.579  -2.916  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -2.158  -0.985  -0.362  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.405   0.171   0.608  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.175   1.311  -0.059  0.00  0.00    +0.068 C 
ATOM     26  C   LIG    1       -2.414   2.093  -1.171  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -2.972   3.392  -0.564  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -3.137   2.635   0.765  0.00  0.00    +0.035 C 
BRANCH  25  29
ATOM     29  O   LIG    1       -4.511   0.883  -0.403  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1       -4.431   0.360  -1.218  0.00  0.00    +0.210 HD
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7