REMARK  Name = BDB044308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.489   1.775   0.523  0.00  0.00    +0.269 C 
ATOM      2  N   LIG    1       -0.226   1.109  -0.666  0.00  0.00    -0.278 N 
ATOM      3  H   LIG    1       -1.013   0.766  -1.198  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.341   2.378   1.196  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  15
ATOM      5  C   LIG    1       -5.364  -0.647  -0.959  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1       -5.087  -0.967   0.504  0.00  0.00    -0.023 C 
ATOM      7  C   LIG    1       -4.969  -2.443   0.735  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1       -3.752  -1.623   1.023  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -2.623  -0.854   0.386  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -2.798   0.595   0.816  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.014   1.062   1.307  0.00  0.00    +0.041 A 
ATOM     12  N   LIG    1       -3.814   2.353   1.665  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1       -4.472   3.011   2.072  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -2.560   2.773   1.425  0.00  0.00    -0.169 NA
ATOM     15  C   LIG    1       -1.915   1.705   0.907  0.00  0.00    +0.151 A 
ATOM     16  C   LIG    1       -5.290   0.254   1.412  0.00  0.00    +0.062 C 
ENDBRANCH   1  15
BRANCH   2  17
ATOM     17  C   LIG    1        1.021   0.958  -1.240  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.246   1.343  -0.754  0.00  0.00    +0.132 A 
ATOM     19  N   LIG    1        3.172   0.955  -1.682  0.00  0.00    -0.265 N 
ATOM     20  N   LIG    1        2.623   0.357  -2.764  0.00  0.00    -0.177 NA
ATOM     21  C   LIG    1        1.317   0.352  -2.482  0.00  0.00    +0.157 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.609   1.181  -1.617  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.296   0.148  -0.760  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        5.719   0.463   0.540  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.349  -0.500   1.331  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.560  -1.784   0.833  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.140  -2.110  -0.455  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.510  -1.150  -1.247  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4