REMARK  Name = BDB014390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.383  -0.043   0.695  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1       -0.443   0.886   1.486  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -1.526   1.591   0.631  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -2.367   0.643  -0.116  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -1.760  -0.677  -0.397  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -0.229  -0.567  -0.542  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.720   0.680  -0.059  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -4.409   1.858   0.066  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.988   2.772   0.105  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -5.753   1.584   0.067  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -5.823   0.198  -0.066  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -7.093  -0.412  -0.103  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -8.242   0.392  -0.010  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -8.119   1.771   0.117  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -9.229   2.515   0.205  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -6.878   2.407   0.159  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -4.555  -0.326  -0.175  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -7.219  -1.876  -0.215  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -6.540  -2.655   0.436  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -8.171  -2.330  -1.091  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -8.160  -3.328  -1.263  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -8.550  -1.736  -1.815  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.484   0.274   0.760  0.00  0.00    +0.143 A 
ATOM     24  N   LIG    1        3.839   0.541   1.918  0.00  0.00    -0.245 NA
ATOM     25  C   LIG    1        2.487   0.422   1.854  0.00  0.00    +0.155 A 
ATOM     26  C   LIG    1        1.764   0.071   0.702  0.00  0.00    +0.140 A 
ATOM     27  N   LIG    1        2.450  -0.205  -0.434  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1        3.803  -0.087  -0.389  0.00  0.00    +0.146 A 
BRANCH  23  31
ATOM     29  N   LIG    1        6.643  -0.712   0.227  0.00  0.00    -0.308 N 
ATOM     30  H   LIG    1        6.131  -1.541  -0.047  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        5.966   0.379   0.751  0.00  0.00    +0.264 C 
ATOM     32  O   LIG    1        6.526   1.380   1.183  0.00  0.00    -0.268 OA
BRANCH  29  34
ATOM     33  C   LIG    1        8.552   0.003  -1.134  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1        8.096  -0.731   0.125  0.00  0.00    +0.067 C 
ATOM     35  C   LIG    1        8.606  -2.169   0.125  0.00  0.00    +0.027 C 
ENDBRANCH  29  34
ENDBRANCH  23  31
ENDBRANCH   1  26
TORSDOF 5