REMARK  Name = BDB007334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.877  -1.612  -0.010  0.00  0.00    +0.149 C 
ATOM      2  C   LIG    1       -1.422  -0.193   0.200  0.00  0.00    +0.066 C 
ATOM      3  C   LIG    1       -0.142   0.687   0.084  0.00  0.00    +0.098 C 
ATOM      4  C   LIG    1        0.010   1.531  -1.174  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1        0.095   2.879  -0.820  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        0.231   3.892  -1.746  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.283   3.521  -3.091  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        0.199   2.169  -3.463  0.00  0.00    +0.142 A 
ATOM      9  F   LIG    1        0.252   1.817  -4.757  0.00  0.00    -0.204 F 
ATOM     10 CL   LIG    1        0.454   4.744  -4.291  0.00  0.00    -0.081 Cl
ATOM     11  N   LIG    1        0.005   3.013   0.554  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.005   3.885   1.065  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1        0.064   1.160  -2.508  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -0.174   1.786   1.181  0.00  0.00    +0.230 C 
ATOM     15  O   LIG    1       -0.339   1.639   2.380  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1        1.055  -0.307   0.223  0.00  0.00    +0.075 C 
ATOM     17  N   LIG    1        0.446  -1.568   0.673  0.00  0.00    -0.301 NA
ATOM     18  H   LIG    1        1.001  -2.367   0.365  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1       -2.612   0.246  -0.642  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -3.302   1.418  -0.275  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -4.381   1.882  -1.030  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -5.186   3.330  -0.566  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -4.806   1.183  -2.153  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.149   0.011  -2.520  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.064  -0.456  -1.769  0.00  0.00    +0.004 A 
ENDBRANCH   2  19
BRANCH   1  29
ATOM     26  C   LIG    1       -2.266  -3.818   2.763  0.00  0.00    +0.128 C 
ATOM     27  N   LIG    1       -1.594  -2.803   1.999  0.00  0.00    -0.317 N 
ATOM     28  H   LIG    1       -0.780  -2.327   2.384  0.00  0.00    +0.148 HD
ATOM     29  C   LIG    1       -1.757  -2.691   0.636  0.00  0.00    +0.230 C 
ATOM     30  O   LIG    1       -2.546  -3.368  -0.017  0.00  0.00    -0.274 OA
ENDBRANCH   1  29
BRANCH  16  31
ATOM     31  C   LIG    1        2.219   0.165   1.119  0.00  0.00    +0.026 C 
BRANCH  31  32
ATOM     32  C   LIG    1        3.520  -0.691   1.178  0.00  0.00    -0.036 C 
ATOM     33  C   LIG    1        4.600   0.156   1.887  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        3.333  -1.980   1.998  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1        4.033  -1.050  -0.226  0.00  0.00    +0.010 C 
ENDBRANCH  31  32
ENDBRANCH  16  31
TORSDOF 4