REMARK  Name = BDB057713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.812  -0.776  -0.642  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.468  -1.272  -0.418  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        1.417  -0.911   0.657  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        1.044  -1.690   1.908  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        0.556  -3.012   1.738  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        0.241  -3.784   2.864  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        0.412  -3.263   4.145  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.897  -1.968   4.314  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.307  -3.598   0.352  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        1.216  -1.185   3.204  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.663  -2.663  -0.823  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -1.453  -1.126  -1.638  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -2.722  -0.366   1.034  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -1.448   0.194   0.355  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -1.660   1.559  -0.327  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -3.100   1.796  -0.757  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -4.062   1.741   0.426  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -3.635   0.766   1.526  0.00  0.00    +0.015 C 
BRANCH  13  20
ATOM     19  O   LIG    1       -4.517  -1.165  -0.444  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -3.521  -1.373   0.226  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.039  -2.627   0.345  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -3.594  -3.131  -0.286  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  C   LIG    1        1.811   0.585   0.775  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.111   1.230  -0.496  0.00  0.00    -0.232 N 
ATOM     25  C   LIG    1        2.999   0.746  -1.420  0.00  0.00    +0.254 C 
ATOM     26  O   LIG    1        3.656  -0.278  -1.396  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        3.091   1.748  -2.479  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        2.329   2.834  -2.090  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        2.224   3.971  -2.867  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        2.920   3.981  -4.080  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.698   2.873  -4.477  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        3.793   1.736  -3.668  0.00  0.00    +0.014 A 
ATOM     33  C   LIG    1        1.753   2.519  -0.785  0.00  0.00    +0.254 C 
ATOM     34  O   LIG    1        1.121   3.308  -0.109  0.00  0.00    -0.270 OA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5