REMARK  Name = BDB058469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.000   3.874   2.072  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.282   2.768   1.205  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.414   1.703   0.943  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -2.062   0.818   0.084  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.460  -0.349  -0.347  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.149  -0.623   0.084  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.479   0.277   0.980  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -3.334   1.341  -0.194  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -0.143   1.456   1.411  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.497   2.551   0.519  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.491   3.260   0.546  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        0.460  -1.830  -0.326  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1       -0.079  -2.326  -1.029  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        1.839  -2.141  -0.470  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        2.209  -3.449  -0.746  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        1.078  -4.723  -0.980  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        3.557  -3.686  -0.843  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1        4.495  -2.732  -0.687  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        4.074  -1.485  -0.421  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1        2.771  -1.178  -0.308  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1        5.019  -0.476  -0.286  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1        4.551   0.806   0.234  0.00  0.00    +0.126 C 
ATOM     23  C   LIG    1        5.513   1.934  -0.179  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        6.987   1.491  -0.196  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1        7.209   0.227   0.628  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        6.352  -0.932   0.112  0.00  0.00    +0.108 C 
BRANCH  23  27
ATOM     27  C   LIG    1        5.317   3.082   0.724  0.00  0.00    +0.067 C 
ATOM     28  N   LIG    1        5.158   3.978   1.444  0.00  0.00    -0.196 NA
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  29
ATOM     29  C   LIG    1       -4.362   0.696  -0.977  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.210  -0.250  -0.122  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.220  -1.091  -0.923  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -7.175  -1.804   0.041  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -5.527  -2.119  -1.821  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -6.987  -0.220  -1.753  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -7.699  -0.739  -2.167  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 8