REMARK  Name = BDB040375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.009  -0.662   2.050  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -2.101  -1.495   1.798  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -3.298  -0.979   1.281  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -4.546  -2.143   0.978  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.448   0.398   1.004  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.323   1.218   1.232  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.315   2.911   0.865  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.128   0.696   1.746  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.748   0.992   0.464  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -5.980   0.625   1.288  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -5.963   0.513   2.512  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -7.162   0.498   0.597  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -7.973   0.268   1.155  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.413   0.833  -0.709  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.556   0.821  -1.158  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.231   1.295  -1.525  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.938   0.672  -1.023  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.286  -1.218   2.581  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.115  -0.720   1.001  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.163  -1.590   1.492  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.908  -2.411   0.961  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.314   0.376   1.520  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.886  -1.210  -0.257  0.00  0.00    +0.068 C 
ATOM     24  C   LIG    1        3.459  -2.623  -0.026  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        1.874  -1.284  -1.421  0.00  0.00    +0.025 C 
BRANCH  23  31
ATOM     26  C   LIG    1        7.514   2.197  -0.832  0.00  0.00    +0.176 C 
ATOM     27  N   LIG    1        6.340   1.348  -0.775  0.00  0.00    -0.233 N 
ATOM     28  C   LIG    1        5.439   1.334  -1.828  0.00  0.00    +0.267 A 
ATOM     29  O   LIG    1        5.555   1.967  -2.874  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1        4.258   0.456  -1.658  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        4.044  -0.254  -0.542  0.00  0.00    -0.008 A 
ATOM     32  C   LIG    1        5.072  -0.041   0.508  0.00  0.00    +0.137 A 
ATOM     33  N   LIG    1        6.139   0.682   0.411  0.00  0.00    -0.177 NA
ENDBRANCH  23  31
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5