REMARK  Name = BDB023698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.597   0.328  -1.411  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.535   0.695  -2.214  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.873   0.292  -2.118  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        1.525   0.752  -3.432  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.347   1.010  -4.360  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.751   1.488  -3.412  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.732   0.754  -1.646  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.539   0.998  -0.940  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.162   0.311   0.066  0.00  0.00    -0.289 N 
ATOM     10  H   LIG    1        2.737  -0.483  -0.179  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.727   1.318   0.933  0.00  0.00    +0.204 C 
ATOM     12  C   LIG    1        2.278   1.136   2.373  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1        3.226   0.076   2.924  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1        4.506   0.176   2.090  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1        4.242   1.233   1.019  0.00  0.00    +0.071 C 
ATOM     16  O   LIG    1        2.293   2.568   0.392  0.00  0.00    -0.366 OA
ATOM     17  N   LIG    1        1.557   2.298  -0.807  0.00  0.00    -0.070 NA
ENDBRANCH   3   8
BRANCH   5  18
ATOM     18  O   LIG    1       -0.007  -0.227  -4.984  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1       -0.870  -0.100  -5.417  0.00  0.00    +0.210 HD
ENDBRANCH   5  18
BRANCH   1  20
ATOM     20  C   LIG    1       -1.337  -0.686  -0.284  0.00  0.00    +0.146 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -4.465   0.741   3.522  0.00  0.00    +0.069 C 
ATOM     22  C   LIG    1       -3.369   0.258   2.655  0.00  0.00    +0.081 A 
ATOM     23  N   LIG    1       -2.224  -0.178   3.193  0.00  0.00    -0.083 NA
ATOM     24  O   LIG    1       -1.424  -0.540   2.127  0.00  0.00    -0.359 OA
ATOM     25  C   LIG    1       -2.090  -0.328   0.956  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.335   0.178   1.246  0.00  0.00    +0.071 A 
ENDBRANCH  20  25
BRANCH  20  27
ATOM     27  C   LIG    1       -1.583  -2.130  -0.789  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -3.058  -2.472  -1.031  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1       -0.961  -3.168   0.152  0.00  0.00    +0.008 C 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5