REMARK  Name = BDB012419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.817  -0.243   0.242  0.00  0.00    +0.043 C 
ATOM      2  C   LIG    1       -0.488   0.501   0.416  0.00  0.00    +0.157 C 
ATOM      3  N   LIG    1        0.508  -0.537   0.216  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.126  -1.703  -0.208  0.00  0.00    +0.255 C 
ATOM      5  O   LIG    1        0.366  -2.766  -0.560  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -1.599  -1.514  -0.146  0.00  0.00    +0.077 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.879  -0.362   0.437  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        2.385   0.731   1.043  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1        3.739   0.912   1.273  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1        4.172   2.133   1.938  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        4.694  -0.030   0.905  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        5.900   0.092   1.106  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.164  -1.249   0.224  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        5.169  -2.271  -0.204  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        2.841  -1.372   0.020  0.00  0.00    +0.033 A 
ENDBRANCH   3   7
BRANCH   2  16
ATOM     16  C   LIG    1       -0.322   1.661  -0.570  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1       -0.274   1.445  -1.960  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -0.118   2.516  -2.844  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -0.008   3.812  -2.351  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        0.181   5.130  -3.440  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -0.052   4.049  -0.980  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.207   2.980  -0.094  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  24
ATOM     23  C   LIG    1       -3.279   1.774   0.794  0.00  0.00    +0.125 C 
ATOM     24  N   LIG    1       -3.033   0.379   0.503  0.00  0.00    -0.348 N 
ATOM     25  H   LIG    1       -3.860  -0.121   0.189  0.00  0.00    +0.146 HD
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  C   LIG    1       -2.527  -2.636  -0.452  0.00  0.00    +0.049 C 
ATOM     27  N   LIG    1       -2.178  -3.788  -0.924  0.00  0.00    -0.303 NA
ATOM     28  H   LIG    1       -1.149  -3.830  -1.032  0.00  0.00    +0.186 HD
BRANCH  26  29
ATOM     29  C   LIG    1       -3.986  -2.466  -0.230  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -4.554  -2.422   1.172  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.811  -3.617   0.311  0.00  0.00    +0.010 C 
ENDBRANCH  26  29
ENDBRANCH   6  26
TORSDOF 5