REMARK  Name = BDB001994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.833  -1.316   0.707  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.212  -0.440   0.987  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1       -0.324   0.198   2.032  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -1.238  -0.279  -0.057  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -1.083  -1.003  -1.231  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -2.043  -0.860  -2.231  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.140  -0.006  -2.057  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.292   0.721  -0.874  0.00  0.00    +0.034 A 
ATOM      9  N   LIG    1       -0.006  -1.866  -1.440  0.00  0.00    -0.233 NA
ATOM     10  C   LIG    1       -2.330   0.579   0.131  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        0.875  -1.992  -0.502  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1       -4.365   1.597  -0.620  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1       -4.365   2.063   0.278  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -5.419   1.896  -1.454  0.00  0.00    +0.220 C 
ATOM     15  O   LIG    1       -5.627   1.484  -2.584  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -6.371   2.873  -0.853  0.00  0.00    +0.075 C 
ATOM     17  C   LIG    1       -7.840   2.526  -0.771  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -7.026   2.612   0.485  0.00  0.00    +0.013 C 
ENDBRANCH  14  16
ENDBRANCH   8  12
BRANCH  11  19
ATOM     19  C   LIG    1        1.999  -2.925  -0.790  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        2.055  -4.292  -0.145  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        1.765  -4.178  -1.609  0.00  0.00    +0.012 C 
ENDBRANCH  11  19
BRANCH   1  22
ATOM     22  C   LIG    1        1.865  -1.472   1.732  0.00  0.00    +0.161 C 
BRANCH  22  26
ATOM     23  C   LIG    1        5.459   0.821   0.937  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        5.516  -0.567   1.073  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.360  -1.309   1.330  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        3.118  -0.671   1.446  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1        3.070   0.725   1.323  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        4.230   1.465   1.067  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        6.653   2.833   0.525  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.662   1.421   0.686  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 6