REMARK  Name = BDB001802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.626   2.211  -1.904  0.00  0.00    -0.251 N 
ATOM      2  H   LIG    1       -0.636   3.010  -2.530  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1       -1.828   1.564  -1.787  0.00  0.00    +0.252 C 
ATOM      4  O   LIG    1       -2.836   1.993  -2.343  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.970   0.354  -0.971  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -1.609  -0.907  -1.456  0.00  0.00    +0.053 A 
ATOM      7 CL   LIG    1       -0.942  -1.134  -3.029  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.762  -2.026  -0.635  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -2.283  -1.885   0.654  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.663  -0.628   1.126  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.514   0.495   0.313  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  15
ATOM     12  C   LIG    1        2.225   1.195  -0.068  0.00  0.00    +0.240 A 
ATOM     13  N   LIG    1        0.898   1.031  -0.375  0.00  0.00    -0.304 N 
ATOM     14  H   LIG    1        0.307   0.332   0.042  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1        0.583   1.981  -1.302  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1        1.659   2.700  -1.536  0.00  0.00    -0.113 NA
ATOM     17  N   LIG    1        2.690   2.209  -0.768  0.00  0.00    -0.121 NA
BRANCH  12  18
ATOM     18  C   LIG    1        2.989   0.404   0.862  0.00  0.00    +0.377 C 
ATOM     19  O   LIG    1        4.170   0.542   1.151  0.00  0.00    -0.241 OA
BRANCH  18  21
ATOM     20  C   LIG    1        2.833  -1.412   2.335  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1        2.174  -0.559   1.396  0.00  0.00    -0.462 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  15
TORSDOF 4