REMARK  Name = BDB047381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.212  -1.336  -0.659  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1        1.207  -1.062  -1.732  0.00  0.00    +0.273 A 
ATOM      3  O   LIG    1        1.190  -1.470  -2.879  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1        2.190  -0.284  -1.162  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1        3.120  -0.293  -1.564  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        1.969  -0.202   0.205  0.00  0.00    -0.220 N 
ATOM      7  C   LIG    1        2.844   0.402   1.105  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1        2.727   0.376   2.328  0.00  0.00    -0.265 OA
ATOM      9  C   LIG    1        0.768  -0.836   0.462  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        0.223  -0.923   1.851  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.221  -0.247   0.134  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -2.849  -0.400  -0.051  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1       -2.323  -1.607  -0.577  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.001  -2.040  -0.856  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -1.088  -3.302  -1.383  0.00  0.00    +0.103 A 
ATOM     16  N   LIG    1       -2.418  -3.703  -1.446  0.00  0.00    -0.287 N 
ATOM     17  C   LIG    1       -2.783  -4.972  -1.954  0.00  0.00    +0.229 C 
ATOM     18  O   LIG    1       -1.901  -5.755  -2.296  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -4.235  -5.299  -2.046  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.199  -2.650  -0.935  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -4.586  -2.490  -0.742  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -5.071  -1.289  -0.209  0.00  0.00    +0.048 A 
BRANCH  11  23
ATOM     23  O   LIG    1       -4.847   0.859   0.638  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.021   1.959   1.022  0.00  0.00    +0.229 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.139   4.280   1.998  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.929   3.060   1.560  0.00  0.00    +0.038 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  11  23
ENDBRANCH   1  14
BRANCH   7  27
ATOM     27  C   LIG    1        4.024   1.115   0.555  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        5.290   0.805   1.062  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        6.422   1.467   0.575  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        6.290   2.449  -0.409  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1        5.018   2.769  -0.894  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1        3.883   2.114  -0.411  0.00  0.00    +0.017 A 
BRANCH  30  33
ATOM     33  O   LIG    1        7.310   3.166  -0.971  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1        8.624   2.899  -0.497  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH   7  27
TORSDOF 6