REMARK  Name = BDB013308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.040  -0.915   0.536  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -2.235   0.496   0.001  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -3.326   1.060   0.045  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.076   1.098  -0.501  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.221   0.387  -0.390  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        0.115  -1.124  -0.799  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -1.277  -1.722  -0.512  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.357   1.044  -1.179  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        1.278   1.217  -2.573  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        2.335   1.791  -3.281  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        3.484   2.193  -2.604  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        4.787   2.899  -3.477  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.585   2.024  -1.226  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.527   1.451  -0.516  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        1.249  -1.943  -0.183  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.389  -2.231  -0.955  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.454  -2.951  -0.410  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.840  -3.283  -1.373  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        3.404  -3.398   0.906  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.281  -3.121   1.683  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.214  -2.396   1.145  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -3.386  -1.565   0.884  0.00  0.00    +0.108 C 
BRANCH  22  26
ATOM     23  N   LIG    1       -4.385  -3.405   2.091  0.00  0.00    -0.329 N 
ATOM     24  H   LIG    1       -4.346  -4.147   2.778  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.291  -3.030   1.843  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -3.227  -2.733   1.832  0.00  0.00    +0.211 C 
ATOM     27  O   LIG    1       -2.168  -3.076   2.345  0.00  0.00    -0.276 OA
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   4  28
ATOM     28  C   LIG    1       -1.115   2.559  -0.626  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.660   3.226   0.642  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -1.589   3.388   1.819  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -1.189   4.590   1.009  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 6