REMARK  Name = BDB014116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.243  -0.243  -0.496  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.710   0.911  -0.692  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.939   0.159  -0.978  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.788  -1.189  -0.911  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.043  -1.711  -1.180  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -3.941  -0.737  -1.413  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -3.230   0.413  -1.274  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.887   1.686  -1.428  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1       -0.433  -1.505  -0.596  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.002  -2.636  -0.460  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        4.093   2.894  -0.210  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.552   1.488  -0.147  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.391   0.363   0.121  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.816  -0.894   0.131  0.00  0.00    -0.282 N 
ATOM     15  C   LIG    1        4.858  -1.757   0.393  0.00  0.00    +0.169 A 
ATOM     16  N   LIG    1        5.971  -1.066   0.549  0.00  0.00    -0.131 NA
ATOM     17  C   LIG    1        2.458  -1.120  -0.074  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        1.619  -0.088  -0.304  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        5.678   0.264   0.375  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        2.233   1.250  -0.354  0.00  0.00    +0.032 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.712  -3.224   0.496  0.00  0.00    +0.289 C 
ATOM     22  F   LIG    1        4.035  -3.727  -0.574  0.00  0.00    -0.241 F 
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   2  23
ATOM     23  C   LIG    1       -0.864   1.811   0.524  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -0.952   3.204   0.350  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -1.110   4.051   1.450  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.189   3.515   2.733  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -1.385   4.561   4.084  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -1.113   2.139   2.925  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.955   1.290   1.827  0.00  0.00    +0.007 A 
ENDBRANCH   2  23
BRANCH   5  30
ATOM     30  C   LIG    1       -3.388  -3.219  -1.227  0.00  0.00    +0.040 C 
ATOM     31  C   LIG    1       -4.632  -3.714  -0.536  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -3.283  -4.037   0.034  0.00  0.00    +0.010 C 
ENDBRANCH   5  30
TORSDOF 4