REMARK  Name = BDB033837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.525   0.113   0.268  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -5.173  -0.701  -0.577  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -4.428  -1.401  -1.443  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.034  -1.320  -1.504  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.349  -2.109  -2.464  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.070  -2.932  -3.310  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -4.408  -3.027  -3.273  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -2.450  -0.437  -0.575  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1       -5.037  -2.261  -2.344  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -3.195   0.267   0.296  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.085  -0.199  -0.460  0.00  0.00    -0.315 N 
ATOM     12  C   LIG    1       -0.479   0.567  -1.541  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1        0.841   1.161  -1.048  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        1.793   0.087  -0.488  0.00  0.00    -0.013 C 
ATOM     15  C   LIG    1        3.059   0.728   0.099  0.00  0.00    +0.091 C 
ATOM     16  N   LIG    1        4.016  -0.380   0.062  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1        3.860  -0.960  -1.276  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1        2.368  -0.832  -1.587  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1        1.047  -0.735   0.598  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -0.297  -1.285   0.114  0.00  0.00    +0.107 C 
BRANCH  16  21
ATOM     21  C   LIG    1        5.405   0.015   0.324  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.627   0.363   1.791  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1        5.416   1.826   2.204  0.00  0.00    +0.166 C 
ATOM     24  O   LIG    1        6.838   2.042   2.346  0.00  0.00    -0.379 OA
ATOM     25  C   LIG    1        7.094   0.633   2.152  0.00  0.00    +0.166 C 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH   8  11
BRANCH   1  30
ATOM     26  C   LIG    1       -7.435   1.552   2.192  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1       -6.859   2.389   3.078  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1       -5.514   2.475   3.038  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -4.723   1.762   2.151  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1       -5.327   0.892   1.230  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -6.726   0.799   1.268  0.00  0.00    +0.031 A 
ENDBRANCH   1  30
TORSDOF 4