REMARK  Name = BDB011649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.264  -1.242  -1.706  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1       -1.554  -0.093  -1.399  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -2.085   1.273  -1.124  0.00  0.00    +0.050 C 
ATOM      4  C   LIG    1       -0.192  -0.544  -1.339  0.00  0.00    +0.171 A 
ATOM      5  N   LIG    1       -0.097  -1.852  -1.635  0.00  0.00    -0.073 NA
ATOM      6  O   LIG    1       -1.383  -2.268  -1.901  0.00  0.00    -0.356 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.376  -2.252   0.525  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -4.091  -2.760  -0.889  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1       -3.706  -1.617  -1.845  0.00  0.00    +0.190 C 
ATOM     10  O   LIG    1       -4.501  -0.432  -1.678  0.00  0.00    -0.365 OA
ATOM     11  C   LIG    1       -5.705  -0.630  -0.920  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -5.304  -1.016   0.515  0.00  0.00    +0.063 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.612   0.636  -1.039  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1       -7.923   0.433  -0.246  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -6.987   0.846  -2.529  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -5.913   1.917  -0.539  0.00  0.00    +0.013 C 
ENDBRANCH  11  13
BRANCH   7  18
ATOM     17  C   LIG    1       -3.180  -1.968   2.577  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -3.120  -1.945   1.158  0.00  0.00    -0.380 OA
ENDBRANCH   7  18
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1        0.995   0.229  -0.975  0.00  0.00    +0.270 C 
ATOM     20  N   LIG    1        1.651  -0.315   0.122  0.00  0.00    -0.274 N 
ATOM     21  H   LIG    1        1.104  -0.966   0.677  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        1.255   1.322  -1.486  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  C   LIG    1        2.792   0.204   0.659  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        3.951   0.744  -0.118  0.00  0.00    +0.289 A 
ATOM     25  O   LIG    1        4.099   0.637  -1.327  0.00  0.00    -0.264 OA
ATOM     26  N   LIG    1        4.887   1.205   0.827  0.00  0.00    -0.245 N 
ATOM     27  N   LIG    1        4.408   0.861   2.135  0.00  0.00    -0.287 N 
ATOM     28  C   LIG    1        4.582   1.930   3.125  0.00  0.00    +0.170 C 
ATOM     29  C   LIG    1        3.157   0.258   1.953  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        2.348  -0.184   3.134  0.00  0.00    +0.067 C 
BRANCH  26  31
ATOM     31  C   LIG    1        6.332   1.065   0.595  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        6.833   1.876  -0.625  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        7.403   0.992  -1.735  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1        8.521   0.078  -1.226  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1        8.233  -0.529   0.150  0.00  0.00    +0.002 C 
ATOM     36  C   LIG    1        6.762  -0.415   0.539  0.00  0.00    +0.027 C 
ENDBRANCH  26  31
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6