REMARK  Name = BDB040498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.373  -3.454   0.917  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.165  -2.239   0.501  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -0.943  -1.639  -0.742  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.592  -0.449  -1.096  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -1.149   0.220  -2.631  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -2.510   0.174  -0.223  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.712  -0.439   1.032  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.742   0.242   2.248  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.051  -1.624   1.386  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -3.234   1.472  -0.579  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -3.947   1.429  -1.928  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.532   0.433  -2.349  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -3.986   2.607  -2.636  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -4.469   2.567  -3.524  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -3.650   3.862  -2.198  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -3.898   4.857  -2.871  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.048   3.953  -0.817  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -2.299   2.680  -0.462  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.021  -3.098   0.462  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        0.947  -3.036   1.330  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.978  -2.276   2.007  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.000  -3.773  -0.565  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.708  -2.546   2.271  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        3.216  -2.193   0.850  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        4.395  -2.474  -0.107  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        2.720  -0.737   0.786  0.00  0.00    +0.059 A 
ATOM     27  N   LIG    1        1.994  -0.308   1.868  0.00  0.00    -0.257 NA
ATOM     28  C   LIG    1        1.425   0.932   1.885  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1        1.565   1.768   0.784  0.00  0.00    +0.127 A 
ATOM     30  C   LIG    1        2.297   1.295  -0.289  0.00  0.00    +0.158 A 
ATOM     31  O   LIG    1        2.305   2.267  -1.248  0.00  0.00    -0.442 OA
ATOM     32  C   LIG    1        1.577   3.276  -0.690  0.00  0.00    +0.309 A 
ATOM     33  N   LIG    1        1.102   3.034   0.513  0.00  0.00    -0.215 NA
ATOM     34  C   LIG    1        2.897   0.049  -0.354  0.00  0.00    +0.072 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5