REMARK  Name = BDB015751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024   0.450   0.048  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.738  -0.499  -0.507  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.924  -0.120  -1.011  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.434   1.115  -0.953  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.671   2.043  -0.349  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.417   1.753   0.157  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.245   3.411  -0.300  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.115   4.166   0.808  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.643   5.447   0.900  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.451   6.189   2.136  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.356   6.037  -0.141  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.836   7.166  -0.119  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.530   5.199  -1.355  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.006   3.969  -1.409  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.276   0.124   0.590  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        1.985   0.775   0.266  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.693  -1.258   0.371  0.00  0.00    +0.138 C 
BRANCH  17  20
ATOM     18  C   LIG    1        2.277  -1.801   3.243  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        3.387  -1.671   2.232  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        3.124  -1.422   0.861  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        4.214  -1.284  -0.037  0.00  0.00    -0.046 A 
ATOM     22  C   LIG    1        4.012  -1.002  -1.503  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        5.527  -1.438   0.436  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.773  -1.704   1.779  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.712  -1.817   2.671  0.00  0.00    +0.004 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  26
ATOM     26  O   LIG    1       -2.753  -1.069  -1.599  0.00  0.00    -0.420 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.151  -2.251  -1.960  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -1.248  -2.288  -3.025  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -0.941  -1.166  -3.694  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -0.656  -3.484  -3.413  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -0.979  -4.660  -2.739  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -1.898  -4.635  -1.685  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -2.505  -3.432  -1.290  0.00  0.00    -0.005 A 
ATOM     34  C   LIG    1       -3.484  -3.412  -0.153  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 6