REMARK  Name = BDB040532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.677   1.038  -0.877  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.500  -0.034  -1.227  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.552  -0.450  -0.395  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.491  -1.761  -1.018  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.809   0.187   0.837  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.970   1.280   1.166  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.178   2.214   2.614  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.921   1.690   0.330  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.927  -0.211   1.804  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.191  -1.702   1.952  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.326  -2.490   2.330  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.451  -2.149   1.634  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.597  -3.144   1.736  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.412  -1.492   0.908  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.405  -2.083   0.493  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.144  -0.044   0.582  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.222   0.589   1.608  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.469   1.447  -1.760  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.730   0.712  -2.343  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.589   0.558  -1.579  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.744   0.182  -0.644  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.760   1.498  -3.290  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.501  -1.671  -2.102  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        3.917  -0.195  -1.958  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        5.078   0.068  -2.941  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.335   0.073  -0.514  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        5.617   0.397  -0.252  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        5.951   0.590   1.038  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        5.064   0.465   2.079  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        3.784   0.123   1.723  0.00  0.00    +0.114 A 
ATOM     31  N   LIG    1        3.393  -0.077   0.448  0.00  0.00    -0.239 NA
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5