REMARK  Name = BDB014754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.706  -3.860   1.246  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.268  -3.412   1.190  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.959  -2.355   0.342  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.528  -2.010   0.249  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.341  -0.679  -0.385  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.179   0.119  -0.558  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.480   1.244  -1.215  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.812   1.199  -1.414  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.364   0.039  -0.967  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.779  -0.393  -1.017  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.840  -1.914  -0.763  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.418  -3.970   1.885  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.039  -0.280  -0.111  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.081  -1.158   0.390  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.297   0.368  -0.113  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.424  -0.351   0.332  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        4.710   0.215   0.341  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.869   1.531  -0.102  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.770   2.255  -0.560  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.499   1.673  -0.570  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.867  -0.546   0.806  0.00  0.00    +0.066 A 
ATOM     22  N   LIG    1        6.052  -1.883   0.553  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        5.450  -2.502   0.022  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        7.185  -2.389   1.070  0.00  0.00    -0.182 NA
ATOM     25  C   LIG    1        7.757  -1.336   1.656  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        6.990  -0.166   1.516  0.00  0.00    +0.049 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.472   2.301  -2.104  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.048   3.380  -1.228  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.205   4.080  -0.189  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.360   3.216   0.242  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5