REMARK  Name = BDB014889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.047   0.496  -0.602  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.132   1.292  -1.210  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.236   3.309  -0.791  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.770   3.043  -1.016  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.265   1.826  -0.576  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.853   1.564  -0.898  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.320   0.449  -0.069  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.998  -0.044   0.070  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.970  -1.071   0.921  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.239  -1.235   1.343  0.00  0.00    -0.259 N 
ATOM     11  C   LIG    1       -3.097  -0.351   0.747  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.564  -0.180   0.915  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.113   0.658  -0.259  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -4.063   3.890  -1.562  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -2.513  -2.287   2.341  0.00  0.00    +0.159 C 
ATOM     16  C   LIG    1       -3.621  -3.256   1.955  0.00  0.00    +0.189 C 
ATOM     17  O   LIG    1       -4.519  -2.677   2.938  0.00  0.00    -0.375 OA
ATOM     18  C   LIG    1       -3.433  -1.881   3.483  0.00  0.00    +0.189 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.426   0.175  -0.615  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        2.278   0.924  -1.445  0.00  0.00    +0.162 A 
ATOM     21  F   LIG    1        1.731   1.909  -2.181  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1        3.654   0.681  -1.532  0.00  0.00    +0.096 A 
ATOM     23  C   LIG    1        4.218  -0.348  -0.762  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.377  -1.109   0.065  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        2.002  -0.849   0.136  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.632  -0.679  -0.788  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        6.665   0.219  -0.622  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.819  -0.508  -0.702  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        9.169  -0.006  -0.620  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.609  -1.827  -0.864  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.279  -1.929  -0.918  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
BRANCH  22  32
ATOM     32  C   LIG    1        4.424   1.488  -2.429  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1        5.051   2.151  -3.147  0.00  0.00    -0.191 NA
ENDBRANCH  22  32
ENDBRANCH   1  19
TORSDOF 5