REMARK  Name = BDB013691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.505  -0.563   1.102  0.00  0.00    +0.093 C 
ATOM      2  C   LIG    1       -0.046  -1.744   0.251  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.561  -1.833  -1.154  0.00  0.00    +0.042 C 
ATOM      4  C   LIG    1        1.403  -0.612  -1.510  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1        2.440  -0.401  -0.494  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        2.044  -0.502   0.924  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.598   0.312  -0.799  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.720   1.098  -1.957  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.894   1.802  -2.254  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        5.982   1.727  -1.394  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        7.426   2.588  -1.754  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        5.903   0.953  -0.244  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        4.724   0.255   0.044  0.00  0.00    +0.024 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1        0.654  -1.598   3.356  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -0.011  -0.613   2.506  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        0.032   0.709   3.135  0.00  0.00    +0.105 C 
ENDBRANCH   1  15
BRANCH   2  17
ATOM     17  N   LIG    1       -1.516  -1.745   0.228  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -1.897  -2.035   1.133  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.281  -0.722  -0.315  0.00  0.00    +0.166 A 
ATOM     20  C   LIG    1       -3.632  -0.515   0.276  0.00  0.00    +0.117 A 
ATOM     21  C   LIG    1       -4.432   0.477  -0.237  0.00  0.00    +0.070 A 
ATOM     22  C   LIG    1       -5.693   0.660   0.330  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -6.088  -0.158   1.388  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.205  -1.129   1.841  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -3.935   1.300  -1.341  0.00  0.00    +0.276 A 
ATOM     26  O   LIG    1       -4.665   2.175  -1.801  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -2.647   1.026  -1.787  0.00  0.00    -0.230 N 
ATOM     28  C   LIG    1       -2.078   1.785  -2.886  0.00  0.00    +0.176 C 
ATOM     29  N   LIG    1       -3.978  -1.333   1.313  0.00  0.00    -0.251 NA
ATOM     30  N   LIG    1       -1.847   0.026  -1.289  0.00  0.00    -0.151 NA
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 4