REMARK  Name = BDB024439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.753   1.482   0.685  0.00  0.00    +0.174 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.622   2.967   0.813  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.387   3.916  -0.166  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1       -1.345   5.123   0.467  0.00  0.00    -0.274 N 
ATOM      5  C   LIG    1       -1.133   6.416  -0.138  0.00  0.00    +0.172 C 
ATOM      6  N   LIG    1       -1.519   5.034   1.797  0.00  0.00    -0.180 NA
ATOM      7  C   LIG    1       -1.711   3.729   2.002  0.00  0.00    +0.140 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      8  N   LIG    1        0.590   0.783   0.615  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1        0.606   1.136   1.563  0.00  0.00    +0.156 HD
ATOM     10  C   LIG    1       -0.562   0.904  -0.134  0.00  0.00    +0.240 C 
ATOM     11  O   LIG    1       -0.679   0.597  -1.321  0.00  0.00    -0.273 OA
BRANCH   8  15
ATOM     12  C   LIG    1        4.388  -0.639  -0.312  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        4.005  -0.101   0.912  0.00  0.00    +0.121 A 
ATOM     14  N   LIG    1        2.760   0.358   1.199  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        1.832   0.291   0.223  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1        2.113  -0.228  -1.032  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1        3.404  -0.694  -1.299  0.00  0.00    +0.013 A 
BRANCH  12  22
ATOM     18  C   LIG    1        8.982  -2.428   0.301  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        7.764  -1.909  -0.274  0.00  0.00    -0.274 N 
ATOM     20  N   LIG    1        7.676  -1.754  -1.605  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        6.443  -1.273  -1.783  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        5.735  -1.112  -0.568  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.630  -1.540   0.393  0.00  0.00    +0.116 A 
ENDBRANCH  12  22
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  24
ATOM     24  N   LIG    1       -3.042   1.209   0.017  0.00  0.00    -0.302 NA
ATOM     25  H   LIG    1       -2.904   1.403  -0.979  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.450  -0.191   0.175  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.758  -0.453  -0.584  0.00  0.00    +0.050 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.212  -1.885  -0.433  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -4.732  -2.876  -1.302  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.136  -4.204  -1.150  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -6.018  -4.547  -0.127  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -6.514  -6.184   0.060  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -6.498  -3.574   0.746  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -6.094  -2.246   0.595  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8