REMARK  Name = BDB020608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.028   0.315   0.407  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.202  -0.571   0.365  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.095  -1.831   1.189  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -2.267  -0.213  -0.411  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1       -2.155   0.980  -1.183  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -1.034   1.813  -1.158  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1       -1.245   2.871  -2.014  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -2.511   2.699  -2.603  0.00  0.00    +0.040 A 
ATOM      9 CL   LIG    1       -0.196   4.165  -2.352  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -3.044   1.536  -2.089  0.00  0.00    +0.093 A 
ATOM     11  C   LIG    1        0.046   1.450  -0.312  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        2.264  -0.347   0.562  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        2.175  -0.527  -0.431  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        1.153   0.030   1.274  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        1.093   0.112   2.495  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        3.474  -0.799   1.208  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1        8.125   1.370  -1.531  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1        6.926   0.895  -0.770  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1        6.290  -0.228  -1.239  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        6.627  -0.692  -2.075  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        5.168  -0.780  -0.673  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1        4.616  -1.756  -1.174  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        4.646  -0.119   0.567  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        5.275   0.990   1.020  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        4.850   1.790   2.223  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        6.445   1.506   0.323  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1       -3.591  -0.999  -0.502  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -3.399  -2.101  -1.563  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -4.082  -1.503   0.806  0.00  0.00    -0.290 NA
ATOM     30  C   LIG    1       -5.268  -2.386   0.725  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -6.567  -1.643   0.379  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -6.842  -0.611   1.334  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -5.750   0.312   1.423  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -4.425  -0.402   1.747  0.00  0.00    +0.113 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5