REMARK  Name = BDB022336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.518  -0.456  -0.748  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.811  -1.766  -0.732  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.422  -2.907  -1.279  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.706  -4.114  -1.311  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.413  -4.198  -0.785  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.192  -3.095  -0.182  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -3.763  -2.826  -1.758  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -4.422  -4.005  -2.297  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -4.495  -1.655  -1.664  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -5.675  -1.540  -1.994  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.528  -1.896  -0.156  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.792  -0.457  -1.161  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.802   0.675  -0.364  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -0.816   0.617  -0.612  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -1.125   3.002  -0.615  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -2.278   2.052  -0.281  0.00  0.00    +0.070 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.761   2.300   1.123  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -4.203   2.078   1.510  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -3.657   3.475   1.434  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        1.507  -3.223   0.301  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        1.709  -4.149   0.674  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.494  -2.265   0.627  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        3.459  -2.541   1.607  0.00  0.00    +0.080 A 
ATOM     24 CL   LIG    1        3.513  -4.062   2.418  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        4.388  -1.561   1.930  0.00  0.00    +0.133 A 
ATOM     26  N   LIG    1        4.426  -0.334   1.361  0.00  0.00    -0.249 NA
ATOM     27  C   LIG    1        3.497  -0.076   0.407  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1        2.542  -1.011   0.011  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1        3.470   1.282  -0.235  0.00  0.00    +0.265 C 
ATOM     30  N   LIG    1        4.484   2.174   0.030  0.00  0.00    -0.296 N 
ATOM     31  C   LIG    1        4.475   3.603  -0.245  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        5.772   3.672   0.565  0.00  0.00    +0.038 C 
ATOM     33  C   LIG    1        5.439   2.282   1.118  0.00  0.00    +0.109 C 
ATOM     34  O   LIG    1        2.543   1.569  -0.995  0.00  0.00    -0.268 OA
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6