REMARK  Name = BDB004800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.122  -0.801   0.118  0.00  0.00    -0.322 N 
ATOM      2  H   LIG    1       -0.031  -1.811   0.204  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.143  -0.252   0.443  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.269  -0.631  -0.318  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.505  -0.072   0.062  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.645  -0.448  -0.680  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        4.551  -1.339  -1.767  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.328  -1.870  -2.142  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.572   0.792   1.100  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.437   1.097   1.738  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.195  -1.516  -1.423  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.228   0.613   1.462  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        6.022   0.060  -0.383  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        6.991  -0.286  -1.051  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        6.187   0.926   0.656  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        7.110   1.285   0.854  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        5.393   1.236   1.208  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.274  -0.310   0.893  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.703   1.095   0.481  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.325   1.930   1.426  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -2.733   3.223   1.065  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1       -2.536   3.698  -0.236  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -1.925   2.874  -1.179  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -1.514   1.586  -0.824  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -3.372   4.088   2.065  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1       -3.717   5.224   1.710  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -3.531   3.631   3.206  0.00  0.00    -0.126 OA
ENDBRANCH  21  25
ENDBRANCH  18  19
BRANCH  18  28
ATOM     28  C   LIG    1       -2.441  -1.319   0.781  0.00  0.00    +0.042 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.993  -1.508  -0.637  0.00  0.00    +0.083 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -3.594  -3.868  -0.629  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -4.080  -2.495  -0.684  0.00  0.00    -0.319 NA
ATOM     32  H   LIG    1       -4.593  -2.372  -1.558  0.00  0.00    +0.122 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 8