REMARK  Name = BDB011646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.123  -2.324  -0.004  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        1.079  -1.335  -0.097  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.779  -0.420  -0.419  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.324  -3.454   0.429  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.401  -1.365   0.252  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.151  -0.073   0.304  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.660   0.986  -0.060  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.436  -0.349   0.764  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.565  -1.766   0.870  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.282  -2.218   2.070  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.302  -2.310   0.567  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.130  -3.795   0.551  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.606   0.431   0.352  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.807   0.421  -1.172  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        7.042   1.223  -1.578  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        6.997   2.646  -1.030  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.795   2.661   0.483  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.555   1.869   0.892  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -1.451   0.548   0.492  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -1.891  -0.648  -0.266  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -3.095  -0.817  -0.925  0.00  0.00    +0.196 A 
ATOM     22  O   LIG    1       -3.140  -2.065  -1.459  0.00  0.00    -0.353 OA
ATOM     23  N   LIG    1       -1.982  -2.745  -1.159  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.212  -1.897  -0.459  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.282   0.060  -1.130  0.00  0.00    +0.322 C 
ATOM     26  O   LIG    1       -4.853   0.325   0.155  0.00  0.00    -0.339 OA
ATOM     27  C   LIG    1       -6.206  -0.150   0.102  0.00  0.00    +0.153 C 
ATOM     28  C   LIG    1       -6.216  -1.103  -1.079  0.00  0.00    +0.195 C 
ATOM     29  O   LIG    1       -5.241  -0.576  -1.975  0.00  0.00    -0.342 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -7.208   1.044   0.046  0.00  0.00    -0.009 C 
ATOM     31  C   LIG    1       -6.966   1.961   1.265  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -7.056   1.897  -1.226  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -8.655   0.520   0.121  0.00  0.00    +0.013 C 
ENDBRANCH  27  30
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5