REMARK  Name = BDB004047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.125   1.009   0.972  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.063   1.841   1.331  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.258   1.453   1.073  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.548   0.242   0.437  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.534  -0.576   0.069  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.858  -0.200   0.326  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.784   2.649   1.313  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.513   1.455   1.266  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        4.433   0.454   1.510  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        4.074  -0.459   1.756  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        5.775   0.785   1.948  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.806  -0.345   1.740  0.00  0.00    +0.103 C 
BRANCH  12  13
ATOM     13  N   LIG    1        7.143  -0.768   0.375  0.00  0.00    -0.297 NA
ATOM     14  C   LIG    1        7.484   0.323  -0.555  0.00  0.00    +0.112 C 
ATOM     15  C   LIG    1        6.415   0.555  -1.637  0.00  0.00    +0.175 C 
ATOM     16  O   LIG    1        6.144  -0.612  -2.430  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1        6.404  -1.840  -1.737  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1        6.195  -1.720  -0.220  0.00  0.00    +0.112 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  N   LIG    1       -1.844  -0.207   0.164  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -1.934  -1.063  -0.363  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.118   0.301   0.406  0.00  0.00    +0.221 A 
ATOM     22  N   LIG    1       -4.123  -0.443  -0.086  0.00  0.00    -0.199 NA
ATOM     23  C   LIG    1       -5.387  -0.016   0.091  0.00  0.00    +0.128 A 
ATOM     24  C   LIG    1       -5.664   1.131   0.798  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -4.582   1.826   1.274  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1       -3.312   1.438   1.085  0.00  0.00    -0.223 NA
BRANCH  23  27
ATOM     27  N   LIG    1       -6.376  -0.841  -0.440  0.00  0.00    -0.298 N 
ATOM     28  H   LIG    1       -5.956  -1.696  -0.798  0.00  0.00    +0.154 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -7.682  -0.630  -0.924  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1       -8.542  -1.734  -1.118  0.00  0.00    +0.062 A 
ATOM     31 CL   LIG    1       -7.985  -3.350  -0.835  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -9.862  -1.565  -1.549  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1      -10.353  -0.286  -1.795  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -9.524   0.816  -1.614  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1       -8.204   0.645  -1.181  0.00  0.00    +0.025 A 
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 8