REMARK  Name = BDB015530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.045  -0.338   0.160  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -1.106   1.003   0.219  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.053   1.643   0.439  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.229   1.051   0.666  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        1.258  -0.283   0.630  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1        0.130  -1.034   0.371  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -6.039  -0.800   0.926  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -4.746  -1.211   0.299  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.792  -2.366  -0.654  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -5.853  -2.947  -0.866  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -3.579  -2.707  -1.254  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -3.551  -3.793  -2.222  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.396  -2.040  -0.978  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.334  -1.024  -0.098  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.574  -0.601   0.535  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        2.455  -0.981   0.859  0.00  0.00    -0.270 N 
ATOM     17  H   LIG    1        2.420  -1.989   0.810  0.00  0.00    +0.156 HD
ATOM     18  C   LIG    1        3.677  -0.400   1.161  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        3.906   0.793   1.309  0.00  0.00    -0.275 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.759  -1.462   1.333  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.178  -0.888   1.471  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        6.695  -0.350   0.134  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1        7.131  -1.964   1.996  0.00  0.00    +0.008 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.064   3.029   0.526  0.00  0.00    -0.421 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.990   3.685  -0.060  0.00  0.00    +0.167 A 
ATOM     26  C   LIG    1       -1.246   3.604  -1.432  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -0.468   2.853  -2.226  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -2.300   4.309  -1.999  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1       -3.088   5.109  -1.182  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1       -4.107   5.795  -1.717  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -2.833   5.222   0.184  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.772   4.512   0.749  0.00  0.00    +0.052 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6