REMARK  Name = BDB052907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.956  -0.034  -3.705  0.00  0.00    +0.062 C 
ATOM      2  C   LIG    1       -1.352  -0.357  -2.286  0.00  0.00    +0.034 C 
ATOM      3  C   LIG    1       -0.284  -0.573  -1.224  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.821  -0.118   0.137  0.00  0.00    +0.174 C 
ATOM      5  N   LIG    1       -2.176  -0.615   0.301  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.998  -0.840  -0.781  0.00  0.00    +0.232 A 
ATOM      7  N   LIG    1       -4.126  -1.381  -0.374  0.00  0.00    -0.211 NA
ATOM      8  C   LIG    1       -4.027  -1.498   0.990  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -4.954  -2.009   1.911  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -4.613  -2.031   3.268  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.374  -1.553   3.701  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.436  -1.039   2.798  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.800  -1.028   1.447  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1       -2.619  -0.526  -2.045  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   4  15
ATOM     15  C   LIG    1       -0.794   1.359   0.366  0.00  0.00    +0.129 A 
ATOM     16  O   LIG    1       -1.275   2.153  -0.631  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1       -1.145   3.439  -0.220  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -0.583   3.486   1.033  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -0.354   2.143   1.415  0.00  0.00    +0.047 A 
ENDBRANCH   4  15
BRANCH   3  20
ATOM     20  C   LIG    1        1.094   0.012  -1.465  0.00  0.00    +0.228 C 
ATOM     21  N   LIG    1        2.085  -0.647  -0.743  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        1.837  -1.521  -0.295  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.283   0.966  -2.209  0.00  0.00    -0.275 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.450  -0.291  -0.652  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        3.990   0.887  -1.178  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.353   1.165  -1.029  0.00  0.00    +0.078 A 
ATOM     27 CL   LIG    1        5.998   2.623  -1.680  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        6.178   0.270  -0.354  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1        7.486   0.519  -0.199  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        5.654  -0.902   0.179  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        4.293  -1.180   0.033  0.00  0.00    +0.026 A 
ENDBRANCH  21  24
ENDBRANCH   3  20
TORSDOF 3