REMARK  Name = BDB034780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.023  -3.428   3.448  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.501  -2.738   2.285  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.697  -2.229   1.259  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.526  -1.596   0.334  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.019  -0.978  -0.793  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.375  -0.985  -0.989  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.195  -1.658  -0.051  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.848  -1.726   0.783  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.667  -2.279   1.090  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.847  -2.412   2.019  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.818  -2.657   2.719  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        0.896  -0.391  -2.159  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.197   0.115  -2.695  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.184   0.155  -2.403  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        2.516   0.548  -3.693  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        1.423   0.460  -5.018  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        3.786   1.040  -3.867  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1        4.685   1.154  -2.870  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        4.298   0.761  -1.648  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1        3.079   0.257  -1.398  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1        5.199   0.838  -0.616  0.00  0.00    -0.294 N 
ATOM     22  C   LIG    1        4.703   0.771   0.756  0.00  0.00    +0.148 C 
ATOM     23  C   LIG    1        5.920   1.192   1.570  0.00  0.00    +0.218 C 
ATOM     24  F   LIG    1        5.592   1.619   2.808  0.00  0.00    -0.241 F 
ATOM     25  C   LIG    1        6.495   2.310   0.718  0.00  0.00    +0.218 C 
ATOM     26  F   LIG    1        5.725   3.430   0.853  0.00  0.00    -0.241 F 
ATOM     27  C   LIG    1        6.324   1.776  -0.710  0.00  0.00    +0.148 C 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  28
ATOM     28  C   LIG    1       -4.017  -1.143   0.170  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.290   0.262   0.716  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.552   0.927   0.138  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -5.823   2.251   0.859  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -5.435   1.176  -1.367  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -6.679   0.074   0.342  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -6.766  -0.091   1.298  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 7