REMARK  Name = BDB061454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.701  -3.238   1.945  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.340  -2.692   1.707  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1        0.969  -2.020   0.561  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1       -0.349  -1.673   0.688  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -0.723  -2.153   1.933  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -2.040  -1.938   2.340  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.874  -1.246   1.454  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -2.382  -0.798   0.218  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1       -1.106  -1.007  -0.204  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1        0.326  -2.780   2.550  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.232  -0.058  -0.736  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -3.121  -0.279  -2.113  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1       -3.930   0.429  -2.985  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1       -4.836   1.328  -2.575  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -4.944   1.560  -1.259  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1       -4.168   0.896  -0.317  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1       -3.853   0.208  -4.360  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -2.908   0.340  -4.700  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -4.502   0.866  -4.789  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1       -5.878   2.518  -0.845  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -6.558   2.091  -0.225  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -5.406   3.262  -0.342  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1        1.782  -1.729  -0.605  0.00  0.00    +0.166 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.295  -0.293  -0.616  0.00  0.00    +0.252 C 
BRANCH  24  25
ATOM     25  O   LIG    1        3.309  -0.161   0.389  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.821   1.117   0.479  0.00  0.00    +0.216 A 
ATOM     27  N   LIG    1        3.492   2.037  -0.448  0.00  0.00    -0.201 NA
ATOM     28  C   LIG    1        4.046   3.256  -0.292  0.00  0.00    +0.133 A 
ATOM     29 CL   LIG    1        3.598   4.399  -1.489  0.00  0.00    -0.062 Cl
ATOM     30  C   LIG    1        4.914   3.604   0.731  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        5.239   2.628   1.666  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        4.684   1.358   1.538  0.00  0.00    +0.067 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7