REMARK  Name = BDB063172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.341   1.319   1.981  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.169   0.557   1.169  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -1.502   0.513   0.816  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1       -1.761  -0.081   0.038  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.719  -0.395   0.446  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.056  -0.030   0.259  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        2.902  -0.901  -0.411  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        2.468  -2.084  -0.878  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        1.183  -2.432  -0.669  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        0.271  -1.631  -0.013  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1        4.232  -0.501  -0.582  0.00  0.00    -0.270 N 
ATOM     12  H   LIG    1        4.492   0.389  -0.189  0.00  0.00    +0.156 HD
ATOM     13  C   LIG    1        5.210  -1.223  -1.229  0.00  0.00    +0.221 C 
ATOM     14  O   LIG    1        5.094  -2.310  -1.774  0.00  0.00    -0.275 OA
BRANCH  13  15
ATOM     15  C   LIG    1        6.565  -0.582  -1.261  0.00  0.00    +0.075 C 
ATOM     16  C   LIG    1        7.113   0.233  -0.112  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1        6.762   0.909  -1.407  0.00  0.00    +0.013 C 
ENDBRANCH  13  15
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -2.559   1.286   1.365  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1       -3.860   1.147   0.831  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -4.903   1.908   1.380  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -4.629   2.768   2.427  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1       -3.404   2.920   2.961  0.00  0.00    -0.261 NA
ATOM     23  C   LIG    1       -2.401   2.180   2.422  0.00  0.00    +0.134 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -4.165   0.231  -0.279  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.000   0.641  -1.611  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -4.270  -0.236  -2.665  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.710  -1.530  -2.392  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -5.040  -2.611  -3.688  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -4.883  -1.953  -1.077  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -4.611  -1.075  -0.024  0.00  0.00    +0.010 A 
ENDBRANCH  19  24
ENDBRANCH   3  18
TORSDOF 5