REMARK  Name = BDB060032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.022   0.715   2.797  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.674  -0.460   2.510  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        1.777  -0.417   1.655  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        2.181   0.806   1.099  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        1.503   1.987   1.431  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        0.399   1.942   2.282  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.341   0.889   0.170  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        3.418  -0.144  -0.745  0.00  0.00    -0.282 N 
ATOM      9  H   LIG    1        2.634  -0.784  -0.778  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        4.089   1.854   0.263  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.420  -0.353  -1.715  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        5.576   0.424  -1.822  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        6.530   0.146  -2.808  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        6.333  -0.915  -3.687  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        7.511  -1.259  -4.892  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        5.188  -1.699  -3.591  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.236  -1.420  -2.606  0.00  0.00    +0.025 A 
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  O   LIG    1       -1.098   0.667   3.648  0.00  0.00    -0.435 OA
BRANCH  18  21
ATOM     19  C   LIG    1       -3.680   0.250   1.196  0.00  0.00    +0.096 A 
ATOM     20  N   LIG    1       -2.428   0.340   1.702  0.00  0.00    -0.208 NA
ATOM     21  C   LIG    1       -2.348   0.567   3.038  0.00  0.00    +0.262 A 
ATOM     22  C   LIG    1       -3.477   0.693   3.869  0.00  0.00    +0.179 A 
ATOM     23  N   LIG    1       -4.718   0.595   3.355  0.00  0.00    -0.234 NA
ATOM     24  C   LIG    1       -4.796   0.374   2.016  0.00  0.00    +0.141 A 
BRANCH  19  29
ATOM     25  C   LIG    1       -5.298  -0.572  -3.440  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1       -4.474  -0.350  -2.277  0.00  0.00    -0.274 N 
ATOM     27  N   LIG    1       -3.138  -0.304  -2.415  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -2.704  -0.077  -1.172  0.00  0.00    +0.144 A 
ATOM     29  C   LIG    1       -3.756   0.015  -0.232  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.896  -0.171  -0.989  0.00  0.00    +0.118 A 
ENDBRANCH  19  29
BRANCH  22  31
ATOM     31  N   LIG    1       -3.369   0.915   5.253  0.00  0.00    -0.339 N 
ATOM     32  H   LIG    1       -2.843   0.149   5.667  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -2.822   1.760   5.407  0.00  0.00    +0.144 HD
ENDBRANCH  22  31
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6