REMARK  Name = BDB054104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.522  -0.319  -2.175  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.325  -0.345  -1.483  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.170   0.421  -0.826  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.956  -1.286  -2.790  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.440  -1.569  -1.277  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1       -1.948  -1.253  -1.185  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1       -2.756  -2.426  -0.830  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1       -2.319  -3.023   0.434  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1       -0.853  -3.454   0.343  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.049  -2.275  -0.004  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.204  -2.170  -0.887  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.808  -0.941  -0.169  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.831  -1.004   1.345  0.00  0.00    -0.005 A 
ATOM     14  C   LIG    1       -4.057  -0.135   2.140  0.00  0.00    +0.123 A 
ATOM     15  C   LIG    1       -4.123  -0.235   3.537  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.944  -1.189   4.143  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.710  -2.048   3.362  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.658  -1.954   1.972  0.00  0.00    +0.007 A 
BRANCH  14  19
ATOM     19  O   LIG    1       -3.278   0.768   1.466  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1       -2.358   1.545   2.227  0.00  0.00    +0.277 C 
ENDBRANCH  14  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  21
ATOM     21  C   LIG    1        2.267   1.036  -2.035  0.00  0.00    +0.164 C 
BRANCH  21  23
ATOM     22  C   LIG    1        2.189   1.362   0.441  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1        2.882   1.050  -0.708  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1        3.794   0.623  -0.565  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        1.001   1.683   0.429  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1        3.005   1.156   1.739  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1        2.413   1.940   2.906  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1        4.794   2.796   1.304  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        4.455   1.392   1.517  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1        4.962   1.065   2.341  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1        3.282   1.371  -3.171  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1        2.550   1.393  -4.528  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1        3.856   2.786  -2.931  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        4.468   0.392  -3.258  0.00  0.00    +0.013 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 10