REMARK  Name = BDB015113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.451   1.099   0.699  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.207   0.675   0.192  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.107   1.536   0.171  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.247   2.837   0.658  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.469   3.276   1.163  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.563   2.412   1.183  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        8.638   0.837  -1.245  0.00  0.00    +0.149 C 
ATOM      8  N   LIG    1        8.149  -0.273  -0.458  0.00  0.00    -0.350 N 
ATOM      9  C   LIG    1        6.888  -0.355   0.095  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        6.819  -1.577   0.765  0.00  0.00    -0.000 A 
ATOM     11  C   LIG    1        5.625  -1.925   1.424  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.538  -1.041   1.391  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.608   0.187   0.719  0.00  0.00    -0.016 A 
ATOM     14  C   LIG    1        8.076  -2.220   0.603  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.802   0.537   0.060  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        8.875  -1.394  -0.154  0.00  0.00    +0.086 A 
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  O   LIG    1       -0.143   1.235  -0.295  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.358  -0.095  -0.768  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.817  -0.243  -1.209  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.031  -1.567  -1.716  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.997  -1.710  -1.625  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.800   0.013  -0.044  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.188  -0.357  -0.416  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.008  -0.481   0.810  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.480  -0.705   0.539  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -7.048  -0.353  -0.698  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.419  -0.541  -0.914  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -9.229  -1.051   0.100  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.674  -1.383   1.333  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.169   0.164  -1.807  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.307  -1.209   1.554  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.803   0.649  -1.301  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7