REMARK  Name = BDB013667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.934   3.017   0.555  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1       -2.655   1.594   0.492  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -3.700   0.676   0.520  0.00  0.00    +0.276 A 
ATOM      4  O   LIG    1       -4.888   0.972   0.628  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1       -3.331  -0.737   0.424  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -2.009  -1.079   0.274  0.00  0.00    +0.117 A 
ATOM      7  N   LIG    1       -1.546  -2.361   0.198  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1       -2.482  -3.333   0.262  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -3.841  -3.088   0.405  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -0.996   0.007   0.198  0.00  0.00    +0.166 A 
ATOM     11  C   LIG    1       -4.273  -1.765   0.489  0.00  0.00    +0.017 A 
ATOM     12  N   LIG    1       -1.334   1.261   0.310  0.00  0.00    -0.151 NA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        0.318  -0.370   0.004  0.00  0.00    -0.322 N 
ATOM     14  H   LIG    1        0.509  -1.366   0.159  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.461   0.480   0.324  0.00  0.00    +0.088 C 
ATOM     16  C   LIG    1        2.713  -0.418   0.600  0.00  0.00    +0.071 C 
ATOM     17  C   LIG    1        3.504  -0.674  -0.686  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        4.017   0.629  -1.308  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1        3.163   1.850  -0.968  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        1.693   1.486  -0.816  0.00  0.00    +0.024 C 
BRANCH  16  21
ATOM     21  N   LIG    1        2.347  -1.705   1.223  0.00  0.00    -0.326 NA
ATOM     22  H   LIG    1        3.194  -2.214   1.473  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        1.850  -1.522   2.096  0.00  0.00    +0.119 HD
ENDBRANCH  16  21
ENDBRANCH  13  15
ENDBRANCH  10  13
TORSDOF 3