REMARK  Name = BDB014162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.162   1.944   0.508  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        2.733   2.806   1.383  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        4.078   2.837   1.448  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        4.900   2.028   0.686  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        4.310   1.128  -0.202  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.917   1.099  -0.302  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.160   0.276  -1.009  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        4.948  -1.029  -1.393  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1        6.066  -1.347  -2.107  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1        6.317  -2.219  -2.564  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1        6.926  -0.322  -2.155  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1        6.386   0.680  -1.476  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1        3.896  -2.014  -1.175  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1        4.301  -3.259  -1.536  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        2.789  -1.740  -1.908  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        3.510  -2.085   0.120  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1       -1.385   1.365   0.168  0.00  0.00    -0.336 N 
ATOM     18  C   LIG    1       -0.103   0.912   0.018  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        0.701   1.949   0.455  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.084   3.013   0.853  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1       -1.327   2.634   0.663  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -2.596   0.634  -0.144  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.136  -0.117   1.073  0.00  0.00    +0.059 C 
BRANCH  23  27
ATOM     24  F   LIG    1       -5.396  -4.364   0.202  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -5.462  -3.031   0.309  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -4.310  -2.314   0.625  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -4.366  -0.919   0.740  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -5.595  -0.281   0.528  0.00  0.00    +0.127 A 
ATOM     29  F   LIG    1       -5.671   1.054   0.622  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.745  -1.000   0.212  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -6.678  -2.388   0.102  0.00  0.00    +0.041 A 
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 6