REMARK  Name = BDB051315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.699  -0.176  -0.345  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -2.083  -0.490   1.016  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -2.377  -1.859   1.049  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.842  -2.529   2.184  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -3.027  -1.781   3.342  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.729  -0.416   3.366  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -2.956   0.323   4.645  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -3.511  -0.192   5.607  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -2.510   1.621   4.705  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -2.558   2.027   5.631  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -1.559   2.128   3.747  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -1.953   1.746   2.324  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -2.136  -2.366  -0.204  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -2.270  -3.336  -0.466  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -2.234   0.262   2.217  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -1.733  -1.369  -1.046  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -1.365   1.191  -0.903  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.282   1.264  -2.437  0.00  0.00    +0.109 C 
BRANCH  18  21
ATOM     19  O   LIG    1        0.985   2.729  -3.421  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        1.035   1.509  -3.285  0.00  0.00    +0.227 C 
ATOM     21  N   LIG    1       -0.036   0.712  -2.937  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        0.267  -0.173  -2.530  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        2.319   0.688  -3.482  0.00  0.00    +0.180 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.489  -0.236  -2.336  0.00  0.00    -0.290 NA
ATOM     25  C   LIG    1        3.484  -1.286  -2.644  0.00  0.00    +0.113 C 
ATOM     26  C   LIG    1        3.933  -1.994  -1.357  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        4.611  -1.117  -0.440  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        4.293   0.271  -0.636  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        2.840   0.488  -1.082  0.00  0.00    +0.113 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5