REMARK  Name = BDB058479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.479  -0.160   0.100  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.858  -0.403  -0.275  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.535   0.576  -0.977  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.845   0.596  -1.477  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.085   1.850  -2.085  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.878   2.571  -1.983  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.662   3.910  -2.447  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.134   2.232  -2.580  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.938   1.794  -1.295  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.353   2.082  -0.922  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.052   1.096  -0.210  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.141  -1.150   0.862  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.677  -2.052   0.813  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.725  -0.646   1.028  0.00  0.00    +0.198 A 
ATOM     15  N   LIG    1        3.437  -0.470   0.679  0.00  0.00    -0.208 NA
ATOM     16  C   LIG    1        2.517  -1.323   1.164  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        2.893  -2.358   2.017  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        1.773  -3.489   2.672  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        4.235  -2.461   2.313  0.00  0.00    +0.136 A 
ATOM     20  N   LIG    1        5.176  -1.623   1.834  0.00  0.00    -0.232 NA
BRANCH  14  23
ATOM     21  C   LIG    1        7.843  -0.760   1.281  0.00  0.00    +0.150 C 
ATOM     22  N   LIG    1        7.068   0.264   0.622  0.00  0.00    -0.331 N 
ATOM     23  C   LIG    1        5.691   0.330   0.492  0.00  0.00    +0.178 A 
ATOM     24  N   LIG    1        5.377   1.423  -0.199  0.00  0.00    -0.233 NA
ATOM     25  C   LIG    1        6.549   2.054  -0.505  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1        7.615   1.354  -0.005  0.00  0.00    +0.107 A 
ENDBRANCH  14  23
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  27
ATOM     27  C   LIG    1       -3.843  -0.429  -1.290  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.651  -0.193  -0.010  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.766  -1.227   0.229  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -5.209  -2.635   0.449  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -6.611  -0.814   1.438  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -6.623  -1.281  -0.911  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -6.981  -0.388  -1.064  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7