REMARK  Name = BDB040504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.374   1.619  -0.029  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.160   1.017   0.958  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.458   0.570   0.675  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.319  -0.129   2.006  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.016   0.702  -0.615  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.213   1.325  -1.595  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.767   1.614  -3.211  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.914   1.768  -1.307  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.421   0.210  -0.956  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.659  -1.255  -0.597  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.801  -2.127  -0.727  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.930  -1.588  -0.195  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.078  -2.564   0.025  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.064  -0.823  -0.287  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.174  -1.308  -0.087  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.880   0.605  -0.739  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.500   1.127  -0.368  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.033   2.055   0.280  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.365   0.314   1.434  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.920   0.918   0.277  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.228   0.541  -0.615  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.060   0.750   2.543  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.660  -1.484   2.619  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        3.195  -0.971   1.240  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        2.295  -2.058   0.618  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.383  -0.690   0.324  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        5.629  -0.697   0.841  0.00  0.00    -0.238 NA
ATOM     28  C   LIG    1        6.656  -0.448  -0.003  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1        6.491  -0.194  -1.342  0.00  0.00    +0.088 A 
ATOM     30  C   LIG    1        5.190  -0.204  -1.786  0.00  0.00    +0.133 A 
ATOM     31  N   LIG    1        4.126  -0.442  -0.984  0.00  0.00    -0.238 NA
BRANCH  29  32
ATOM     32  C   LIG    1        7.587   0.063  -2.209  0.00  0.00    +0.102 C 
ATOM     33  N   LIG    1        8.478   0.275  -2.921  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6