REMARK  Name = BDB015884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.372   0.165   0.455  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.738  -0.584   0.598  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.935   0.032   0.528  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.048   1.410   0.346  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.848   2.083   0.212  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.363   1.494   0.254  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.141  -0.451   0.391  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.889   0.185   0.338  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.679  -0.520   0.517  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.772  -1.904   0.755  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.007  -2.552   0.813  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.185  -1.829   0.633  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.790   0.866  -0.765  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.419   0.883  -0.317  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.885   2.031   0.135  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.633   1.688   0.451  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.359   0.321   0.206  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.548  -0.168  -0.297  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.311   2.121   0.311  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.624   3.135  -0.571  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.901   3.519  -0.273  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.673   4.552  -0.920  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.446   2.819   0.737  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.473   1.980   1.102  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.095  -0.772   0.679  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.767  -0.510  -0.040  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.014  -2.189   0.882  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.763  -2.991  -0.414  0.00  0.00    +0.053 C 
ATOM     29  C   LIG    1       -3.800  -4.015   0.106  0.00  0.00    +0.118 C 
ATOM     30  C   LIG    1       -4.404  -2.861   0.944  0.00  0.00    +0.053 C 
BRANCH  29  31
ATOM     31  O   LIG    1       -4.661  -4.618  -0.876  0.00  0.00    -0.392 OA
ATOM     32  H   LIG    1       -5.028  -3.883  -1.395  0.00  0.00    +0.210 HD
ENDBRANCH  29  31
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6