REMARK  Name = BDB013311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.994   1.176  -0.758  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.868   0.690  -0.742  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        1.424  -0.193   0.249  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1        0.012  -0.635   0.251  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1       -0.489  -1.039  -1.179  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1        0.219  -0.262  -2.307  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        0.833   1.041  -1.802  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.288  -1.781   1.222  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.379  -3.015   1.127  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.051  -4.071   1.983  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.950  -3.904   2.934  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.364  -5.209   3.976  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.621  -2.689   3.045  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.293  -1.632   2.191  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -2.012  -0.948  -1.276  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.779  -2.126  -1.217  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.172  -2.072  -1.257  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.087  -3.525  -1.160  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.828  -0.850  -1.362  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.083   0.327  -1.426  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.685   0.279  -1.380  0.00  0.00    +0.004 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1        2.214  -0.220   1.484  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.681   0.752   2.498  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        1.820   2.244   2.315  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        2.636   1.539   3.362  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   7  26
ATOM     26  C   LIG    1        1.460   1.838  -2.957  0.00  0.00    +0.110 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.624   3.268  -2.598  0.00  0.00    +0.218 A 
ATOM     28  O   LIG    1        2.892   3.742  -2.405  0.00  0.00    -0.427 OA
ATOM     29  C   LIG    1        2.646   5.040  -2.079  0.00  0.00    +0.332 A 
ATOM     30  N   LIG    1        1.370   5.348  -2.087  0.00  0.00    -0.116 NA
ATOM     31  N   LIG    1        0.699   4.189  -2.419  0.00  0.00    -0.113 NA
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6