REMARK  Name = BDB051504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.145  -1.289   0.309  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -0.634  -2.527   1.109  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -1.236  -2.546   2.176  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.266  -3.627   0.390  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -0.584  -4.983   0.776  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1        0.350  -3.222  -0.732  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.485  -1.948  -0.898  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.480   1.306  -0.842  0.00  0.00    +0.123 A 
ATOM      9  C   LIG    1       -3.284   0.964   0.506  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -4.206   1.489   1.573  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -2.212   0.128   0.863  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.328  -0.390  -0.101  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -1.540  -0.026  -1.439  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.603   0.807  -1.806  0.00  0.00    +0.046 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -4.763   2.508  -2.453  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.548   2.126  -1.101  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1        0.935  -0.467   1.043  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1        1.860   0.287   0.287  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.858   1.078   0.886  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        2.909   1.113   2.286  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        1.997   0.391   3.056  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.016  -0.388   2.441  0.00  0.00    +0.007 A 
BRANCH  19  23
ATOM     23  C   LIG    1        3.810   1.840   0.070  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        4.117   3.171   0.301  0.00  0.00    +0.122 A 
ATOM     25  N   LIG    1        4.994   3.897  -0.427  0.00  0.00    -0.243 NA
ATOM     26  C   LIG    1        5.583   3.247  -1.440  0.00  0.00    +0.221 A 
ATOM     27  N   LIG    1        5.378   1.966  -1.778  0.00  0.00    -0.243 NA
ATOM     28  C   LIG    1        4.492   1.296  -1.007  0.00  0.00    +0.122 A 
ENDBRANCH  19  23
ENDBRANCH   1  17
BRANCH   6  29
ATOM     29  N   LIG    1        0.819  -4.104  -1.647  0.00  0.00    -0.331 N 
ATOM     30  H   LIG    1        1.170  -4.983  -1.293  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        1.448  -3.669  -2.316  0.00  0.00    +0.145 HD
ENDBRANCH   6  29
TORSDOF 5