REMARK  Name = BDB001333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.268  -0.236   0.134  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1        0.511   0.645  -0.890  0.00  0.00    +0.066 C 
ATOM      3  C   LIG    1       -0.864   0.861  -0.236  0.00  0.00    +0.098 C 
ATOM      4  C   LIG    1       -1.008   2.047   0.717  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -2.043   2.870   0.266  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.426   4.027   0.912  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.733   4.361   2.073  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -0.694   3.548   2.557  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -2.156   5.790   2.934  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -2.591   2.356  -0.894  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.323   2.784  -1.443  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -0.327   2.379   1.879  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.941   1.201  -1.301  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1       -2.187   0.603  -2.335  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -1.101  -0.483   0.496  0.00  0.00    +0.075 C 
ATOM     16  N   LIG    1        0.233  -0.860   1.017  0.00  0.00    -0.301 NA
ATOM     17  H   LIG    1        0.335  -0.486   1.959  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.209   1.899  -1.405  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1        0.947   2.312  -2.728  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        1.534   3.466  -3.252  0.00  0.00    +0.076 A 
ATOM     21 CL   LIG    1        1.180   3.942  -4.868  0.00  0.00    -0.081 Cl
ATOM     22  C   LIG    1        2.392   4.222  -2.462  0.00  0.00    +0.142 A 
ATOM     23  F   LIG    1        2.966   5.336  -2.938  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        2.666   3.835  -1.155  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        2.078   2.681  -0.628  0.00  0.00    +0.007 A 
ENDBRANCH   2  18
BRANCH   1  28
ATOM     26  C   LIG    1        3.656  -3.229  -0.353  0.00  0.00    +0.131 C 
ATOM     27  N   LIG    1        2.984  -2.095   0.261  0.00  0.00    -0.306 N 
ATOM     28  C   LIG    1        2.121  -1.343  -0.543  0.00  0.00    +0.233 C 
ATOM     29  O   LIG    1        2.064  -1.530  -1.761  0.00  0.00    -0.274 OA
ATOM     30  C   LIG    1        2.964  -2.089   1.715  0.00  0.00    +0.131 C 
ENDBRANCH   1  28
BRANCH  15  31
ATOM     31  C   LIG    1       -1.684  -1.629  -0.371  0.00  0.00    +0.026 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.964  -3.009   0.302  0.00  0.00    -0.036 C 
ATOM     33  C   LIG    1       -2.763  -3.863  -0.707  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -2.808  -2.852   1.577  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -0.674  -3.775   0.638  0.00  0.00    +0.010 C 
ENDBRANCH  31  32
ENDBRANCH  15  31
TORSDOF 4