REMARK  Name = BDB014842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.728   0.231   0.116  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.872   1.231   0.180  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -8.075   2.919  -0.296  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -6.580   2.769  -0.184  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -6.077   1.487  -0.005  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -4.617   1.396   0.193  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -4.143  -0.002   0.022  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -2.831  -0.549  -0.006  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -2.885  -1.877  -0.161  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -4.192  -2.173  -0.255  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -4.584  -3.546  -0.459  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -4.987  -1.081  -0.126  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -6.465  -1.002  -0.160  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -6.899   0.346   0.456  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.851   3.760  -0.261  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1       -0.351  -0.086   0.144  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        0.151  -1.389   0.092  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.531  -1.641   0.122  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.450  -0.592   0.209  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        1.959   0.716   0.260  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        0.580   0.962   0.229  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.877  -0.867   0.234  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.833  -0.076   0.838  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        6.035  -0.692   0.628  0.00  0.00    -0.271 N 
ATOM     25  N   LIG    1        5.928  -1.854  -0.041  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        4.619  -1.953  -0.287  0.00  0.00    +0.142 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.330  -0.251   1.109  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.147   0.604   0.124  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        8.520  -0.158  -1.148  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        7.451   1.920  -0.226  0.00  0.00    +0.009 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 5