REMARK  Name = BDB041262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.267  -0.691   0.113  0.00  0.00    -0.289 NA
ATOM      2  C   LIG    1       -1.591  -1.313  -0.147  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1       -1.577  -0.658  -1.553  0.00  0.00    +0.201 C 
ATOM      4  C   LIG    1       -0.041  -0.640  -1.357  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.659  -1.629   0.771  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.233  -1.855   2.230  0.00  0.00    +0.029 C 
BRANCH   5  16
ATOM      7  C   LIG    1        7.056  -0.332   0.406  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        6.823  -1.750  -0.041  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        7.746  -2.477  -0.395  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        5.531  -2.209  -0.040  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        5.402  -3.165  -0.342  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.441  -1.427   0.355  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.647  -0.115   0.772  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        3.656   0.707   1.172  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        2.403   0.191   1.151  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.088  -1.111   0.750  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        3.147  -1.935   0.345  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        6.005   0.418   0.785  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        8.785   1.529   0.858  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        8.499   0.111   0.378  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   5  16
ENDBRANCH   1   5
BRANCH   3  21
ATOM     21  O   LIG    1       -2.198   0.647  -1.709  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.558   0.681  -1.551  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -4.115   1.507  -0.571  0.00  0.00    +0.081 A 
ATOM     24  C   LIG    1       -3.239   2.334   0.324  0.00  0.00    +0.069 C 
ATOM     25  N   LIG    1       -5.455   1.606  -0.376  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1       -6.255   0.865  -1.197  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1       -5.777   0.036  -2.204  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -4.400  -0.050  -2.385  0.00  0.00    +0.050 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.732   0.996  -0.976  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -8.077   1.851   0.050  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -7.310   2.366   0.477  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -9.442   2.207   0.317  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -8.542   0.392  -1.671  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6