REMARK  Name = BDB040379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.425   1.503  -0.213  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.164   0.874   0.791  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.471   0.413   0.559  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.240  -0.303   1.931  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.085   0.556  -0.702  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.326   1.218  -1.699  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.949   1.538  -3.287  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.020   1.672  -1.462  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.495   0.065  -1.041  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.902  -1.271  -0.439  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.272  -2.307  -0.647  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.013  -1.280   0.369  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.259  -2.180   0.760  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.616  -0.204   0.970  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.450  -0.361   1.857  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.144   1.164   0.543  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.579   1.137  -0.865  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.991   1.946   0.043  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.336   0.146   1.070  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.892   0.819  -0.050  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.071   0.441  -0.971  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.074   0.527   2.208  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.288  -2.128   0.054  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1        3.195  -1.113   0.784  0.00  0.00    +0.069 C 
ATOM     25  C   LIG    1        3.621  -1.755   2.123  0.00  0.00    +0.026 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.455  -0.735   0.014  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.257   0.328   0.411  0.00  0.00    +0.120 A 
ATOM     28  N   LIG    1        6.378   0.717  -0.228  0.00  0.00    -0.227 NA
ATOM     29  C   LIG    1        6.715  -0.005  -1.311  0.00  0.00    +0.232 A 
ATOM     30  N   LIG    1        6.028  -1.058  -1.790  0.00  0.00    -0.227 NA
ATOM     31  C   LIG    1        4.917  -1.401  -1.107  0.00  0.00    +0.120 A 
BRANCH  29  32
ATOM     32  C   LIG    1        7.904   0.387  -2.022  0.00  0.00    +0.140 C 
ATOM     33  N   LIG    1        8.863   0.704  -2.601  0.00  0.00    -0.188 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6