REMARK  Name = BDB050145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.396  -0.150   0.172  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.758  -0.013  -0.614  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.927   0.556  -0.087  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.915   0.987   1.246  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.775   0.837   2.041  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.379   0.265   1.508  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.112   0.709  -0.935  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        4.427   0.524  -0.542  0.00  0.00    -0.211 N 
ATOM      9  C   LIG    1        5.221   0.750  -1.658  0.00  0.00    +0.155 A 
ATOM     10  C   LIG    1        6.618   0.612  -1.505  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        7.114   0.267  -0.312  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        6.145   0.053   0.794  0.00  0.00    +0.150 A 
ATOM     13 CL   LIG    1        6.747  -0.389   2.351  0.00  0.00    -0.060 Cl
ATOM     14  N   LIG    1        4.506   1.060  -2.715  0.00  0.00    -0.234 NA
ATOM     15  N   LIG    1        4.859   0.171   0.708  0.00  0.00    -0.153 NA
ATOM     16  C   LIG    1        3.207   1.027  -2.281  0.00  0.00    +0.141 A 
ENDBRANCH   3   7
BRANCH   1  19
ATOM     17  N   LIG    1       -2.822  -0.377   0.059  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1       -2.862   0.380   0.727  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -1.600  -0.766  -0.449  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -1.477  -1.556  -1.378  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     21  CA  LIG    1       -4.081  -0.864  -0.507  0.00  0.00    +0.098 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.156   1.450  -0.579  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -5.258   0.022  -0.055  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -4.320  -2.340  -0.126  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -5.542  -2.825  -0.675  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1       -5.546  -3.788  -0.538  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 6