REMARK  Name = BDB014070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.052   1.212  -1.412  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -1.448   1.223  -0.059  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.155   0.395   0.096  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1        0.875   0.829  -0.866  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1        0.364   1.341  -2.144  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1       -1.060   0.821  -2.433  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.199   0.525  -0.624  0.00  0.00    +0.200 A 
ATOM      8  N   LIG    1        3.142   1.103  -1.423  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        2.881   1.785  -2.111  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        4.475   0.921  -1.246  0.00  0.00    +0.258 A 
ATOM     11  O   LIG    1        5.306   1.517  -1.925  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.851  -0.028  -0.187  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        6.309  -0.322  -0.004  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        6.547  -1.557   0.859  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1        5.606  -1.559   2.056  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1        4.220  -1.466   1.589  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1        3.208  -1.909   2.545  0.00  0.00    +0.130 C 
ATOM     18  C   LIG    1        3.868  -0.573   0.560  0.00  0.00    +0.133 A 
ATOM     19  N   LIG    1        2.544  -0.273   0.339  0.00  0.00    -0.200 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -3.231   0.326  -1.487  0.00  0.00    +0.123 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.166   0.051   0.163  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.436   0.858  -0.732  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.862   2.180  -0.965  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.976   2.700  -0.311  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.686   1.902   0.579  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.285   0.584   0.815  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -5.425  -2.070   1.229  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.710  -1.230   0.331  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4