REMARK  Name = BDB052500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.157  -1.102  -2.278  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.184  -0.739  -2.117  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -2.113  -0.727  -3.142  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.341  -0.333  -2.694  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -3.201  -0.093  -1.399  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1       -1.815  -1.066  -4.413  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.520  -1.416  -4.591  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -1.899  -0.332  -1.022  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1       -1.507  -0.229  -0.099  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        0.473  -1.452  -3.607  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        2.056  -1.934  -4.107  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        3.294  -1.249   0.631  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        2.211  -2.262   0.630  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        1.513  -2.391  -0.746  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        0.983  -1.074  -1.158  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        2.045  -0.044  -1.206  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        2.741   0.053   0.174  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        3.874  -1.137   1.984  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        8.524   0.860   1.244  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        7.150   0.471   1.601  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        6.488   1.303   2.449  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        5.217   0.808   2.684  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        5.129  -0.322   1.969  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        6.332  -0.579   1.268  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -4.262   0.361  -0.491  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -5.547   0.591  -1.004  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.588   1.023  -0.177  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.371   1.236   1.190  0.00  0.00    -0.034 A 
ATOM     29  C   LIG    1       -5.090   1.014   1.708  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.048   0.580   0.878  0.00  0.00    +0.012 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -7.497   1.700   2.077  0.00  0.00    +0.113 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -7.903   3.061   1.752  0.00  0.00    -0.326 NA
ATOM     33  H   LIG    1       -8.579   3.384   2.440  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1       -7.094   3.676   1.827  0.00  0.00    +0.119 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH   5  25
TORSDOF 6