REMARK  Name = BDB053011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.570  -0.934   0.431  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.250  -1.109   0.781  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        1.496  -0.474   0.570  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.116  -2.288   1.467  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        3.409  -2.789   1.504  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        3.743  -3.954   2.096  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        2.700  -4.603   2.659  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1        1.376  -4.167   2.665  0.00  0.00    +0.059 A 
ATOM      9 BR   LIG    1        0.074  -5.253   3.522  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1        1.025  -2.950   2.046  0.00  0.00    +0.073 A 
ATOM     11  N   LIG    1        4.286  -1.956   0.870  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        5.189   2.396  -1.749  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.823   2.342  -1.470  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.274   1.266  -0.761  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        4.090   0.218  -0.316  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        5.462   0.282  -0.602  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        6.010   1.359  -1.311  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.974   3.600  -2.753  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.588   3.501  -2.447  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH  10  20
ATOM     20  N   LIG    1       -0.301  -2.487   2.038  0.00  0.00    -0.325 N 
ATOM     21  C   LIG    1       -0.509  -1.255   2.823  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -2.013  -0.906   2.879  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1       -2.610  -0.781   1.529  0.00  0.00    -0.294 NA
ATOM     24  C   LIG    1       -2.403  -2.051   0.794  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -0.907  -2.428   0.692  0.00  0.00    +0.120 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.037  -0.432   1.639  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.590  -0.005   0.319  0.00  0.00    +0.093 A 
ATOM     28  N   LIG    1       -4.224   1.184  -0.280  0.00  0.00    -0.217 NA
ATOM     29  C   LIG    1       -4.914   1.204  -1.403  0.00  0.00    +0.198 A 
ATOM     30  O   LIG    1       -5.723   0.115  -1.587  0.00  0.00    -0.447 OA
ATOM     31  C   LIG    1       -5.511  -0.646  -0.480  0.00  0.00    +0.221 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -4.930   2.237  -2.478  0.00  0.00    +0.069 C 
ATOM     33  C   LIG    1       -5.413   3.577  -1.927  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -3.545   2.377  -3.106  0.00  0.00    +0.017 C 
ENDBRANCH  29  32
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  10  20
TORSDOF 6