REMARK  Name = BDB040499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.994   0.244  -1.865  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1        0.087  -0.131  -2.648  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.226  -1.104  -2.878  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.092   1.393  -1.436  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.016  -0.876  -1.577  0.00  0.00    +0.101 C 
ATOM      6  C   LIG    1       -2.545  -1.455  -2.906  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -1.320  -2.011  -0.797  0.00  0.00    +0.029 C 
BRANCH   5  11
ATOM      8  C   LIG    1       -5.241   0.765   0.694  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -5.195   0.799  -0.684  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1       -4.201   0.268  -1.427  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1       -3.177  -0.306  -0.764  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1       -3.126  -0.403   0.580  0.00  0.00    -0.239 NA
ATOM     13  C   LIG    1       -4.149   0.143   1.270  0.00  0.00    +0.120 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.858   2.681   2.171  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -6.339   1.373   1.532  0.00  0.00    +0.088 C 
ATOM     16  C   LIG    1       -7.654   1.627   0.781  0.00  0.00    +0.046 C 
BRANCH  15  17
ATOM     17  O   LIG    1       -6.651   0.469   2.600  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1       -6.917  -0.378   2.202  0.00  0.00    +0.211 HD
ENDBRANCH  15  17
ENDBRANCH   8  15
ENDBRANCH   5  11
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.186   0.773  -2.904  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.292   0.558  -1.905  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        3.327  -0.343  -2.159  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        4.340  -0.562  -1.213  0.00  0.00    +0.047 A 
ATOM     23 CL   LIG    1        5.528  -1.746  -1.650  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.357   0.123   0.022  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.284   1.006   0.274  0.00  0.00    +0.047 A 
ATOM     26 CL   LIG    1        3.115   1.863   1.770  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        2.273   1.218  -0.673  0.00  0.00    +0.025 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.457  -0.081   1.062  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1        6.868   0.087   0.505  0.00  0.00    +0.227 C 
ATOM     30  O   LIG    1        7.160   0.916  -0.355  0.00  0.00    -0.275 OA
ATOM     31  N   LIG    1        7.847  -0.691   1.076  0.00  0.00    -0.256 N 
ATOM     32  H   LIG    1        8.780  -0.561   0.709  0.00  0.00    +0.157 HD
ATOM     33  C   LIG    1        7.755  -1.462   2.206  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1        8.753  -1.973   2.708  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1        6.390  -1.569   2.840  0.00  0.00    +0.097 C 
ATOM     36  C   LIG    1        5.289  -1.412   1.803  0.00  0.00    +0.027 C 
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7