REMARK  Name = BDB005312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.442  -0.827   0.182  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -1.719   0.182  -0.462  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1       -0.412  -0.109  -0.227  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.923   0.431  -0.531  0.00  0.00    +0.156 C 
ATOM      5  N   LIG    1        1.746  -0.584   0.185  0.00  0.00    -0.279 N 
ATOM      6  C   LIG    1        0.985  -1.606   0.791  0.00  0.00    +0.268 C 
ATOM      7  O   LIG    1        1.397  -2.581   1.397  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.383  -1.243   0.519  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1       -1.627  -1.691   0.790  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.199  -0.620   0.051  0.00  0.00    +0.095 C 
ATOM     11  C   LIG    1        3.931  -0.724   1.395  0.00  0.00    +0.130 C 
ATOM     12  N   LIG    1        5.385  -0.764   1.251  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1        6.152  -0.581   2.471  0.00  0.00    +0.132 C 
ATOM     14  C   LIG    1        5.981  -1.487   0.223  0.00  0.00    +0.215 C 
ATOM     15  O   LIG    1        7.149  -1.875   0.266  0.00  0.00    -0.276 OA
ATOM     16  C   LIG    1        5.169  -1.668  -1.048  0.00  0.00    +0.098 C 
ATOM     17  C   LIG    1        3.669  -1.771  -0.834  0.00  0.00    +0.033 C 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.162   1.834  -0.013  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        1.549   2.849  -0.903  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        1.770   4.151  -0.447  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        1.607   4.450   0.903  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        1.876   6.054   1.462  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        1.227   3.458   1.803  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        1.006   2.156   1.347  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.614  -1.605  -0.786  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1       -3.898  -0.944   0.222  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -4.598  -0.444   1.328  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -5.989  -0.550   1.396  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.694  -1.166   0.362  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.008  -1.692  -0.732  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -3.651  -3.491  -1.663  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.976  -2.117  -1.889  0.00  0.00    -0.494 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -2.196   1.352  -1.190  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1       -3.033   1.024  -2.424  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -2.889   2.369  -0.284  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 5