REMARK  Name = BDB001971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.274  -1.850   1.141  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.157  -0.833   0.587  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -2.501  -1.179   0.458  0.00  0.00    +0.262 A 
ATOM      4  O   LIG    1       -2.970  -2.267   0.785  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -3.389  -0.155  -0.115  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -2.814   1.047  -0.515  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -3.636   2.035  -1.061  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.011   1.822  -1.203  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.575   0.613  -0.798  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1       -1.444   1.297  -0.397  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1       -4.764  -0.382  -0.252  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -0.682   0.383   0.120  0.00  0.00    +0.151 A 
ENDROOT
BRANCH  12  13
ATOM     13  C   LIG    1        0.812   0.696   0.229  0.00  0.00    +0.303 C 
BRANCH  13  14
ATOM     14  O   LIG    1        1.549  -0.250  -0.535  0.00  0.00    -0.484 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.911  -0.143  -0.515  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        3.649   0.844   0.142  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        5.047   0.831   0.081  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        5.705  -0.166  -0.637  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        7.424  -0.177  -0.708  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.978  -1.152  -1.297  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.582  -1.137  -1.234  0.00  0.00    +0.047 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
TORSDOF 3