REMARK  Name = BDB042391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.745  -0.765   0.128  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.054   0.380   0.367  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.448   0.256   0.423  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        2.083  -0.978   0.204  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        1.277  -2.097  -0.059  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.118  -1.995  -0.096  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.959  -1.460  -1.137  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -4.716  -2.017  -0.609  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -4.398  -1.419   0.708  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.889  -1.442   1.038  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -2.151  -0.594   0.072  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -2.678  -0.641  -1.317  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -3.594  -1.861  -1.562  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1        3.551  -1.091   0.246  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        4.364  -0.231  -0.507  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.760  -0.339  -0.471  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        6.381  -1.278   0.351  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        5.581  -2.176   1.058  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        4.185  -2.072   1.024  0.00  0.00    +0.010 A 
BRANCH  17  20
ATOM     20  N   LIG    1        7.768  -1.460   0.295  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1        8.279  -0.620   0.041  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        8.154  -1.910   1.119  0.00  0.00    +0.142 HD
ENDBRANCH  17  20
ENDBRANCH   4  14
BRANCH   2  23
ATOM     23  N   LIG    1       -0.617   1.603   0.632  0.00  0.00    -0.296 N 
ATOM     24  H   LIG    1       -1.608   1.445   0.430  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -0.251   2.907   0.204  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1       -1.074   3.961   0.617  0.00  0.00    +0.102 A 
ATOM     27  C   LIG    1       -0.720   5.190   0.076  0.00  0.00    +0.155 A 
ATOM     28 CL   LIG    1       -1.661   6.603   0.385  0.00  0.00    -0.060 Cl
ATOM     29  N   LIG    1        0.361   5.432  -0.685  0.00  0.00    -0.222 NA
ATOM     30  C   LIG    1        1.104   4.356  -0.947  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1        0.855   3.105  -0.542  0.00  0.00    -0.219 NA
BRANCH  26  32
ATOM     32  N   LIG    1       -2.278   3.725   1.329  0.00  0.00    -0.353 N 
ATOM     33  H   LIG    1       -2.612   4.561   1.807  0.00  0.00    +0.143 HD
ATOM     34  H   LIG    1       -2.177   2.932   1.963  0.00  0.00    +0.143 HD
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 6