REMARK  Name = BDB040437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.753  -1.110  -1.207  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.215  -0.945  -0.895  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.899   0.206  -1.293  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        4.253   0.388  -0.974  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.973   1.849  -1.565  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.968  -0.574  -0.227  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.263  -1.736   0.155  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        5.007  -3.035   1.025  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.909  -1.912  -0.167  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        6.436  -0.391   0.155  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.718   0.926   0.874  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.936   1.437   1.673  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.951   1.491   0.651  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.133   2.355   1.144  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        9.032   0.928   0.022  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       10.134   1.468   0.051  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        8.812  -0.421  -0.617  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        7.365  -0.600  -1.046  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.422  -0.281  -0.432  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.055  -0.381  -0.259  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.374  -0.077   0.604  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.960  -0.760  -1.429  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.188   0.496   0.681  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -1.676   1.954   0.646  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -1.842  -0.090   2.071  0.00  0.00    +0.025 C 
BRANCH  23  29
ATOM     26  C   LIG    1       -6.578   0.088   0.182  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1       -5.947   1.342   0.194  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.555   1.491   0.338  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -3.716   0.383   0.493  0.00  0.00    -0.033 A 
ATOM     30  C   LIG    1       -4.336  -0.875   0.496  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -5.726  -1.013   0.350  0.00  0.00    +0.023 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -8.742   1.086  -0.443  0.00  0.00    +0.129 C 
ATOM     33  N   LIG    1       -7.967  -0.050   0.054  0.00  0.00    -0.336 N 
ATOM     34  C   LIG    1       -8.513  -1.368  -0.265  0.00  0.00    +0.129 C 
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6