REMARK  Name = BDB019078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.698   0.011  -0.166  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        1.123  -0.302   1.097  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.215  -0.025   1.267  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.524  -0.348   2.563  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.505  -0.869   3.199  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.019   0.513   0.248  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.490   0.817  -0.907  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.536  -0.844   2.292  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.857   0.553  -1.078  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.926  -2.171  -2.214  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.626  -1.170  -1.370  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.077  -0.218  -0.475  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        4.158   0.458   0.062  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        4.234   1.566   1.049  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        5.262  -0.110  -0.524  0.00  0.00    -0.266 N 
ATOM     16  N   LIG    1        4.962  -1.095  -1.399  0.00  0.00    -0.176 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.667   0.208  -0.307  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.441  -1.003   0.206  0.00  0.00    +0.179 C 
BRANCH  18  19
ATOM     19  O   LIG    1        7.639  -1.970  -0.825  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1        6.761  -2.092  -1.252  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.361   0.742   0.456  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.681   1.357  -0.291  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.263  -0.404   0.518  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.656   0.068   0.808  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.513   0.541  -0.182  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.289   0.732  -1.636  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.727   0.998  -2.081  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.497   1.452  -0.944  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.784   1.004   0.136  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.260   1.024   1.432  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.420   0.553   2.441  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.138   0.085   2.124  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.353  -0.351   3.120  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7