REMARK  Name = BDB051606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.860   0.545  -0.630  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -1.812   0.178   0.266  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -2.997   0.315  -0.350  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1       -2.766   0.838  -1.678  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.758   1.141  -2.611  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -5.062   0.897  -2.160  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -5.336   0.382  -0.859  0.00  0.00    +0.017 A 
ATOM      8 CL   LIG    1       -3.372   1.752  -4.144  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -4.321   0.074   0.089  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1       -1.410   0.969  -1.819  0.00  0.00    +0.124 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.241   0.340   0.453  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        2.868   0.804  -0.816  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        1.519   0.877  -1.184  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        0.521   0.480  -0.283  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        0.891   0.007   0.984  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.239  -0.064   1.345  0.00  0.00    +0.007 A 
BRANCH  11  17
ATOM     17  C   LIG    1        4.696   0.257   0.851  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.555  -1.220   1.239  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        5.137  -1.134   0.927  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        4.952  -1.588   0.033  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1       -4.631  -0.481   1.415  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -3.968  -1.361   1.941  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -5.735   0.037   2.041  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -6.130   0.926   1.771  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.861  -0.255   3.002  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4