REMARK  Name = BDB048743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.857  -1.134   2.147  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        2.276  -1.131   2.208  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        2.734  -1.678   3.346  0.00  0.00    -0.170 NA
ATOM      4  N   LIG    1        1.614  -2.028   4.000  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        1.706  -2.474   4.908  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        0.467  -1.726   3.329  0.00  0.00    +0.113 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        3.282  -0.590   1.139  0.00  0.00    +0.160 A 
ATOM      8  N   LIG    1        4.638  -0.649   1.323  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        5.077  -1.039   2.144  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        5.248  -0.104   0.225  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1        4.190   0.270  -0.596  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        4.465   0.874  -1.829  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        5.804   1.078  -2.189  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        6.856   0.693  -1.348  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1        6.594   0.088  -0.111  0.00  0.00    +0.073 A 
ATOM     16  N   LIG    1        2.982  -0.036  -0.018  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  O   LIG    1        8.102   0.964  -1.850  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        9.215   0.595  -1.046  0.00  0.00    +0.277 C 
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  20
ATOM     19  C   LIG    1       -1.337  -0.718   1.087  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1        0.005  -0.643   1.111  0.00  0.00    +0.012 C 
BRANCH  19  23
ATOM     21  C   LIG    1       -4.256   0.806  -0.746  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -3.433   0.332   0.283  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -2.171  -0.198  -0.006  0.00  0.00    -0.007 A 
ATOM     24  C   LIG    1       -1.803  -0.254  -1.349  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1       -2.574   0.182  -2.374  0.00  0.00    -0.262 NA
ATOM     26  C   LIG    1       -3.780   0.696  -2.048  0.00  0.00    +0.115 A 
BRANCH  21  27
ATOM     27  C   LIG    1       -5.612   1.392  -0.468  0.00  0.00    +0.117 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -6.669   0.443  -0.805  0.00  0.00    -0.312 NA
ATOM     29  H   LIG    1       -6.529  -0.418  -0.277  0.00  0.00    +0.122 HD
BRANCH  28  31
ATOM     30  C   LIG    1       -9.063  -0.023  -0.866  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -7.990   0.995  -0.513  0.00  0.00    +0.078 C 
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 7