REMARK  Name = BDB014507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.496   1.362  -3.640  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.417   2.023  -2.434  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.506   2.169  -2.039  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.549   0.962  -4.127  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -0.855   1.198  -4.343  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -1.948   0.946  -3.464  0.00  0.00    -0.482 OA
BRANCH   6  15
ATOM      7  C   LIG    1       -5.266   1.154   2.651  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -4.533  -0.102   2.254  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1       -4.085  -0.192   0.943  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -3.460  -1.449   0.552  0.00  0.00    +0.143 C 
ATOM     11  C   LIG    1       -2.692  -1.390  -0.750  0.00  0.00    -0.023 A 
ATOM     12  C   LIG    1       -1.964  -2.519  -1.149  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -1.242  -2.512  -2.339  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -1.229  -1.373  -3.143  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -1.937  -0.231  -2.760  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1       -2.700  -0.247  -1.576  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.462   0.979  -1.132  0.00  0.00    +0.058 C 
ATOM     18  C   LIG    1       -4.579   0.640  -0.149  0.00  0.00    +0.113 C 
ATOM     19  O   LIG    1       -4.343  -0.994   3.082  0.00  0.00    -0.276 OA
ENDBRANCH   6  15
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.552   2.179  -1.539  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.656   1.050  -0.494  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        0.366   0.907   0.124  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.148   0.289  -0.427  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.140  -0.283  -1.114  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.631  -1.359  -0.240  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.024  -1.213   0.191  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        4.224  -0.436   1.469  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        3.208  -0.369   2.435  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        3.437   0.314   3.638  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.672   0.912   3.887  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.686   0.834   2.937  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.853  -0.973   2.167  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.466   0.160   1.736  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        1.764  -1.781   0.860  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8