REMARK  Name = BDB040542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.158  -1.530  -2.264  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.429  -0.913  -1.743  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.524   0.468  -1.556  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.695   1.048  -1.050  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.659   2.768  -0.838  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.819   0.265  -0.712  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.693  -1.132  -0.872  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.942  -2.248  -0.429  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.520  -1.707  -1.383  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.091   0.921  -0.177  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.357   0.501  -0.921  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.390   0.289  -2.132  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.513   0.447  -0.178  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -8.347   0.182  -0.683  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.712   0.899   1.102  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.837   0.946   1.590  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.495   1.412   1.832  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.229   0.731   1.338  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.727  -0.899  -0.796  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        0.755  -1.808  -1.177  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.504  -2.559  -0.550  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.915   0.131  -1.440  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.116  -2.691   0.344  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.526  -1.274   0.480  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        1.533  -1.258   1.665  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.695  -0.308   0.736  0.00  0.00    +0.056 A 
ATOM     27  N   LIG    1        3.872   0.144   2.001  0.00  0.00    -0.257 NA
ATOM     28  C   LIG    1        4.935   0.961   2.240  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        5.878   1.365   1.312  0.00  0.00    +0.089 A 
ATOM     30  C   LIG    1        5.692   0.868   0.013  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.618   1.243  -0.971  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        7.677   2.081  -0.641  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.778   2.517   0.666  0.00  0.00    +0.111 A 
ATOM     34  N   LIG    1        6.908   2.176   1.642  0.00  0.00    -0.253 NA
ATOM     35  C   LIG    1        4.604   0.023  -0.271  0.00  0.00    +0.034 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5