REMARK  Name = BDB010040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.359  -1.358  -0.559  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        1.203  -0.794  -0.040  0.00  0.00    -0.315 N 
ATOM      3  C   LIG    1        0.138  -1.606  -0.383  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        0.730  -2.664  -1.053  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1        0.064  -3.724  -1.530  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1       -1.243  -3.656  -1.268  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1       -1.922  -2.663  -0.629  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1       -1.241  -1.587  -0.185  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        2.077  -2.499  -1.158  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        7.090  -2.101   0.837  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        6.026  -1.190   0.299  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        4.717  -1.658   0.123  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.717  -0.829  -0.407  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        4.056   0.469  -0.806  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        5.360   0.940  -0.647  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.341   0.114  -0.096  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -2.114  -4.798  -1.722  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1       -1.755  -5.789  -2.332  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -3.410  -4.579  -1.355  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -3.466  -3.723  -0.867  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  N   LIG    1       -1.910  -0.544   0.437  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -1.465   0.356   0.305  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.373  -0.469   0.342  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -3.778   0.053  -1.038  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.882   0.421   1.493  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -5.397   0.738   1.586  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.099   2.160   1.079  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -3.627   1.952   1.473  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  29
ATOM     29  C   LIG    1        1.150   0.343   0.870  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.664   1.637   0.248  0.00  0.00    -0.028 A 
ATOM     31  C   LIG    1        0.388   2.713   1.111  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -0.075   3.934   0.613  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -0.266   4.094  -0.755  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1       -0.847   5.591  -1.369  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1        0.009   3.047  -1.629  0.00  0.00    +0.020 A 
ATOM     36  C   LIG    1        0.476   1.826  -1.132  0.00  0.00    +0.007 A 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 8