REMARK  Name = BDB039668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.075  -2.836   1.017  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.402  -1.800   1.956  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        1.548  -0.901   1.525  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1        2.094  -0.982   0.149  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1        1.758  -2.217  -0.579  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1        0.179  -0.328   1.753  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        0.264  -2.575  -0.388  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.215  -0.221  -0.212  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.167  -0.620  -1.155  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        5.256   0.096  -1.534  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        5.425   1.303  -0.947  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        4.545   1.812  -0.001  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        3.440   1.038   0.361  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        6.629   2.090  -1.374  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        7.266   2.810  -0.372  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.069   2.565   0.589  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.508   3.486  -0.649  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        7.022   2.074  -2.535  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.445  -3.305   1.241  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.117   0.777  -0.435  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1       -5.762   0.008  -1.712  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1       -6.336   0.232  -2.766  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -4.771  -0.934  -1.582  0.00  0.00    -0.318 N 
ATOM     24  H   LIG    1       -4.516  -1.457  -2.407  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.147  -1.154  -0.351  0.00  0.00    +0.087 A 
ATOM     26  C   LIG    1       -4.530  -0.407   0.768  0.00  0.00    +0.177 A 
ATOM     27  N   LIG    1       -3.971  -0.571   1.980  0.00  0.00    -0.234 NA
ATOM     28  C   LIG    1       -2.997  -1.504   2.083  0.00  0.00    +0.118 A 
ATOM     29  C   LIG    1       -2.543  -2.295   1.028  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.145  -2.110  -0.221  0.00  0.00    +0.035 A 
ATOM     31  N   LIG    1       -5.529   0.574   0.708  0.00  0.00    -0.226 NA
BRANCH  20  33
ATOM     32  C   LIG    1       -6.600   3.132  -1.079  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -7.186   1.836  -0.549  0.00  0.00    +0.058 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5