REMARK  Name = BDB040458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.821  -0.948   1.109  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.393   0.310   1.302  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.542   0.695   0.594  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.156   2.272   0.966  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.150  -0.164  -0.347  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.564  -1.437  -0.518  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.217  -2.629  -1.592  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.416  -1.816   0.192  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.384   0.241  -1.152  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        4.214   1.559  -1.903  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        3.152   1.907  -2.416  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        5.345   2.324  -2.060  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        5.224   3.187  -2.572  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.643   1.968  -1.793  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.580   2.680  -2.143  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.853   0.626  -1.136  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.652   0.231  -0.291  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.436  -1.345   1.832  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.833  -1.573   1.377  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.593  -1.093   1.006  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.555  -0.304   0.373  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.984  -2.294   2.361  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -3.716  -1.650  -0.953  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -4.008  -1.120   0.468  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -5.313  -1.790   0.950  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.192   0.406   0.548  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -4.338   1.219  -0.585  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1       -4.512   2.593  -0.420  0.00  0.00    +0.140 A 
ATOM     29  N   LIG    1       -4.549   3.204   0.787  0.00  0.00    -0.245 NA
ATOM     30  C   LIG    1       -4.422   2.413   1.870  0.00  0.00    +0.112 A 
ATOM     31  C   LIG    1       -4.248   1.038   1.802  0.00  0.00    +0.024 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -4.668   3.450  -1.564  0.00  0.00    +0.119 C 
ATOM     33  N   LIG    1       -4.790   4.101  -2.519  0.00  0.00    -0.189 NA
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6