REMARK  Name = BDB023100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.466  -1.511   0.314  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.559  -2.740   0.379  0.00  0.00    +0.177 C 
ATOM      3  C   LIG    1        0.814  -2.166   0.070  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        0.463  -1.144  -1.014  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -0.890  -0.691  -0.738  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        1.366  -0.003  -1.059  0.00  0.00    -0.303 N 
ATOM      7  C   LIG    1        2.534   0.017  -1.784  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1        3.154   1.241  -1.572  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        4.376   1.451  -2.225  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1        4.873   0.474  -3.008  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1        4.170  -0.669  -3.123  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1        2.313   1.982  -0.697  0.00  0.00    +0.033 A 
ATOM     13  N   LIG    1        2.990  -0.981  -2.560  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        1.216   1.199  -0.408  0.00  0.00    +0.091 A 
BRANCH   9  15
ATOM     15  N   LIG    1        5.107   2.627  -2.131  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        5.787   2.680  -2.881  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        4.551   3.455  -1.970  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   1  19
ATOM     18  C   LIG    1       -2.108  -1.528   2.796  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -1.554  -0.695   1.634  0.00  0.00    +0.047 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.398   0.572   1.507  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -3.675   0.565   0.921  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.428   1.739   0.838  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.919   2.929   1.348  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -4.849   4.373   1.246  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -2.663   2.955   1.947  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.910   1.782   2.031  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   2  27
ATOM     27  O   LIG    1       -0.895  -3.686  -0.658  0.00  0.00    -0.386 OA
ATOM     28  H   LIG    1       -1.355  -3.215  -1.378  0.00  0.00    +0.210 HD
ENDBRANCH   2  27
BRANCH   3  29
ATOM     29  O   LIG    1        1.708  -3.194  -0.342  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1        1.166  -3.865  -0.805  0.00  0.00    +0.210 HD
ENDBRANCH   3  29
TORSDOF 6