REMARK  Name = BDB040408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.067   2.049   0.286  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.246   1.323   0.165  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.896   0.813   1.290  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.102   0.101   1.175  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.784  -0.406   2.680  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.695  -0.145  -0.082  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.027   0.397  -1.208  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.645   0.243  -2.822  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.825   1.108  -1.085  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.993  -0.926  -0.292  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.205  -2.135   0.609  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        4.412  -3.074   0.651  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.328  -2.135   1.400  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        6.439  -2.945   1.994  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.104  -1.056   1.744  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.918  -1.130   2.659  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.843   0.230   1.001  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        6.241  -0.036  -0.366  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.779   1.079  -1.212  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.164   1.147   0.023  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.417   0.485   0.744  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.482   1.841  -2.129  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.874  -0.024  -1.343  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -3.388  -0.031  -2.798  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -2.171  -1.374  -1.069  0.00  0.00    +0.025 C 
BRANCH  23  33
ATOM     26  C   LIG    1       -6.992  -1.788   1.065  0.00  0.00    +0.063 C 
ATOM     27  C   LIG    1       -6.030  -0.693   0.719  0.00  0.00    +0.016 A 
ATOM     28  N   LIG    1       -6.269   0.543   1.268  0.00  0.00    -0.327 N 
ATOM     29  H   LIG    1       -7.063   0.686   1.881  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -5.506   1.654   1.028  0.00  0.00    +0.249 A 
ATOM     31  O   LIG    1       -5.743   2.746   1.529  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1       -4.348   1.458   0.119  0.00  0.00    +0.074 A 
ATOM     33  C   LIG    1       -4.066   0.246  -0.404  0.00  0.00    -0.026 A 
ATOM     34  C   LIG    1       -4.974  -0.858  -0.095  0.00  0.00    +0.025 A 
ENDBRANCH  23  33
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 5