REMARK  Name = BDB011636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.720   1.127   1.581  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.051  -0.053   1.291  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.588  -0.901   1.401  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.182   2.160   1.960  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.302  -0.171   1.126  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.229   0.892   0.627  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        1.888   1.941   0.104  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.533   0.370   0.716  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        3.417  -1.029   1.006  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        4.471  -1.589   1.851  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.063  -1.268   1.274  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        1.599  -2.624   1.703  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.566   0.859  -0.201  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.875   1.200   0.525  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        6.915   1.768  -0.440  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        7.152   0.837  -1.625  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.852   0.509  -2.354  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.803  -0.067  -1.405  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -2.464  -0.164  -0.834  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.957   0.387   0.450  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -4.256   0.479   0.911  0.00  0.00    +0.144 A 
ATOM     22  O   LIG    1       -4.255   1.085   2.129  0.00  0.00    -0.358 OA
ATOM     23  N   LIG    1       -2.968   1.400   2.497  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -2.179   0.979   1.499  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.607   0.098   0.397  0.00  0.00    +0.058 C 
ATOM     26  C   LIG    1       -6.036   0.998  -0.771  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1       -7.416   0.610  -1.301  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -7.480  -0.868  -1.677  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -7.061  -1.763  -0.515  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -5.678  -1.387   0.014  0.00  0.00    +0.011 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4