REMARK  Name = BDB034715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.301   0.650  -1.527  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.079   0.425  -1.380  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.538  -0.875  -1.456  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.837  -1.389  -1.332  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.787  -2.797  -1.444  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.435  -3.123  -1.683  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -0.913  -4.448  -1.849  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.726  -3.570  -1.341  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.675  -1.948  -1.681  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.678  -1.764  -1.851  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.157  -0.449  -1.779  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.792   1.971  -1.470  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.067   2.669  -1.333  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        3.997   2.100   0.224  0.00  0.00    +0.253 A 
ATOM     15  N   LIG    1        2.824   1.616  -0.244  0.00  0.00    -0.194 NA
ATOM     16  C   LIG    1        2.032   2.442  -0.966  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        2.413   3.752  -1.244  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        1.435   4.847  -2.140  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        3.631   4.152  -0.750  0.00  0.00    +0.138 A 
ATOM     20  N   LIG    1        4.434   3.356  -0.022  0.00  0.00    -0.217 NA
BRANCH  14  27
ATOM     21  C   LIG    1        7.901   0.825   2.819  0.00  0.00    +0.069 C 
ATOM     22  C   LIG    1        6.564   0.688   2.190  0.00  0.00    +0.079 A 
ATOM     23  C   LIG    1        5.694  -0.417   2.224  0.00  0.00    +0.085 A 
ATOM     24 CL   LIG    1        5.986  -1.891   3.015  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        4.582  -0.048   1.498  0.00  0.00    +0.064 A 
ATOM     26  C   LIG    1        3.341  -0.811   1.216  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        4.832   1.247   1.045  0.00  0.00    -0.201 N 
ATOM     28  N   LIG    1        6.047   1.698   1.488  0.00  0.00    -0.167 NA
ENDBRANCH  14  27
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  29
ATOM     29  C   LIG    1       -4.024  -0.633  -1.016  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.189  -0.449   0.492  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.466   0.293   0.924  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -5.534   1.710   0.352  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -6.740  -0.481   0.576  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -5.417   0.433   2.350  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -5.428  -0.458   2.740  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7