REMARK  Name = BDB041092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.078  -0.539  -0.776  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.616  -0.119  -1.932  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -2.736   0.510  -2.733  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.401   0.678  -2.403  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1       -0.818   1.385  -3.427  0.00  0.00    -0.357 N 
ATOM      6  H   LIG    1        0.147   1.689  -3.434  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.742   1.640  -4.409  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1       -0.902   0.182  -1.206  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -2.946   1.105  -4.000  0.00  0.00    +0.047 A 
ATOM     10  N   LIG    1       -1.784  -0.432  -0.393  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.949  -0.638   0.954  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1       -3.964  -1.258   0.145  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -3.815  -2.662   0.218  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.618  -3.447   1.044  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.595  -2.844   1.820  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.758  -1.460   1.775  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.137   1.319  -0.125  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -5.228   0.862   1.018  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -3.994   1.760   1.146  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  N   LIG    1        0.437   0.320  -0.855  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1        1.059   0.262  -1.650  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.866  -0.488   0.276  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.361  -0.330   0.445  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.237  -1.362   0.094  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.622  -1.198   0.233  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        5.174  -0.001   0.724  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.278   1.031   1.057  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        2.895   0.872   0.922  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.632   0.187   0.880  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        7.089   1.450   0.673  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        8.415   1.673   0.801  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        9.333   0.694   1.135  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        8.862  -0.592   1.353  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.498  -0.851   1.226  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 6