REMARK  Name = BDB040414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.575  -1.734  -0.070  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        2.096  -1.543   1.211  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        3.332  -0.907   1.397  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.837  -0.705   3.042  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        4.095  -0.440   0.305  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.537  -0.612  -0.981  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        4.300  -0.034  -2.425  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        2.300  -1.248  -1.161  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.447   0.234   0.530  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        6.578  -0.369  -0.299  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        6.674  -1.573  -0.532  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        7.561   0.497  -0.716  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        8.312   0.083  -1.250  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.767   1.790  -0.306  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.793   2.394  -0.605  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.717   2.386   0.599  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.356   1.754   0.354  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.239  -2.392  -0.272  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.091  -1.778  -0.714  0.00  0.00    +0.231 C 
ATOM     20  N   LIG    1       -0.802  -1.404  -0.383  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.753  -0.567   0.192  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.385  -2.904  -1.102  0.00  0.00    -0.274 OA
BRANCH  19  25
ATOM     23  C   LIG    1       -3.171  -0.637   1.876  0.00  0.00    +0.106 C 
ATOM     24  N   LIG    1       -2.869   0.147   0.671  0.00  0.00    -0.290 NA
ATOM     25  C   LIG    1       -3.095  -0.616  -0.596  0.00  0.00    +0.147 C 
ATOM     26  C   LIG    1       -4.542  -1.093  -0.794  0.00  0.00    +0.063 C 
ATOM     27  C   LIG    1       -5.545  -0.008  -0.480  0.00  0.00    -0.041 A 
ATOM     28  C   LIG    1       -5.152   1.141   0.234  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.109   2.123   0.530  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -7.439   1.955   0.147  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.827   0.808  -0.542  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.886  -0.171  -0.853  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -3.705   1.366   0.626  0.00  0.00    +0.120 C 
ENDBRANCH  19  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4