REMARK  Name = BDB005645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.916  -0.417   1.375  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -3.642   0.086   0.279  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -3.029   1.095  -0.486  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -3.688   1.630  -1.598  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -3.257   2.356  -2.153  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.928   1.236  -2.010  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -5.594   0.175  -1.214  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -6.970  -0.247  -1.661  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -7.448  -1.542  -0.993  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -7.078  -1.564   0.486  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -5.648  -1.343   0.613  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -5.274  -1.427   1.560  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -5.461   1.747  -2.991  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.760   1.596  -0.167  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -1.063   1.102   0.940  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -4.998  -0.368  -0.134  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -1.658   0.099   1.714  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -2.813  -2.648   1.926  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.446  -1.391   2.191  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        0.303   1.643   1.307  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.356   0.617   1.278  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        1.555   0.063  -0.070  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1        2.958  -0.517  -0.253  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1        4.022   0.602  -0.179  0.00  0.00    +0.059 C 
ATOM     25  C   LIG    1        3.610   1.645   0.890  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        2.603   1.090   1.895  0.00  0.00    +0.086 C 
BRANCH  24  27
ATOM     27  N   LIG    1        5.395   0.093   0.049  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        5.727  -1.109  -0.749  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1        7.243  -1.352  -0.811  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1        7.946  -0.305  -1.493  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        7.273   0.956  -1.422  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1        6.441   1.130  -0.140  0.00  0.00    +0.113 C 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4