REMARK  Name = BDB040407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.469  -2.200   0.577  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.915  -1.638   0.761  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.267  -0.955   1.926  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.544  -0.393   2.074  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.846   0.389   3.591  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.511  -0.482   1.049  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.143  -1.191  -0.115  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.231  -1.439  -1.439  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.866  -1.752  -0.256  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.900   0.142   1.174  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.873   1.624   1.543  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.018   2.406   1.133  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.920   2.081   2.308  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -5.900   3.066   2.535  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.078   1.421   2.629  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.009   2.005   3.176  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.176  -0.021   2.195  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.801  -0.666   2.114  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.495  -1.472  -1.552  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.276  -1.292  -0.201  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.615  -0.451   0.247  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.079  -2.458  -2.156  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.325   0.903  -2.241  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        2.270  -0.320  -2.245  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        2.535  -0.693  -3.719  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.625  -0.073  -1.557  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1        4.068   1.204  -1.176  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        5.317   1.391  -0.546  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.153   0.293  -0.291  0.00  0.00    +0.093 A 
ATOM     30  N   LIG    1        7.342   0.457   0.313  0.00  0.00    -0.149 NA
ATOM     31  N   LIG    1        7.772   1.701   0.691  0.00  0.00    -0.157 NA
ATOM     32  C   LIG    1        6.992   2.769   0.453  0.00  0.00    +0.135 A 
ATOM     33  C   LIG    1        5.721  -0.966  -0.678  0.00  0.00    +0.030 A 
ATOM     34  C   LIG    1        5.762   2.659  -0.161  0.00  0.00    +0.031 A 
ATOM     35  C   LIG    1        4.484  -1.156  -1.304  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5