REMARK  Name = BDB019546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189  -0.154   0.658  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.765  -1.379   0.295  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.896  -1.436  -0.535  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -2.445  -0.221  -0.985  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.897   1.020  -0.617  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.759   1.042   0.205  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.493  -2.725  -0.914  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.787  -3.044  -2.241  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1       -3.345  -4.207  -2.657  0.00  0.00    -0.263 NA
ATOM     10  C   LIG    1       -3.622  -5.118  -1.702  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -3.370  -4.917  -0.356  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.801  -3.707   0.038  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     13  O   LIG    1        1.193  -1.135   2.292  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        1.005  -0.179   1.548  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        1.869   0.891   1.452  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        1.780   1.530   0.676  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.115   0.917   2.185  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.260   0.482   1.306  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1        4.485  -0.883   1.065  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        5.528  -1.301   0.232  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        5.734  -2.999  -0.013  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        6.357  -0.350  -0.372  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        7.664  -0.786  -1.415  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.136   1.011  -0.142  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        5.092   1.425   0.690  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  14
BRANCH   5  26
ATOM     26  C   LIG    1       -2.523   2.300  -1.122  0.00  0.00    +0.157 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.892   3.199  -0.042  0.00  0.00    -0.332 N 
ATOM     28  C   LIG    1       -3.884   2.988   0.873  0.00  0.00    +0.199 A 
ATOM     29  N   LIG    1       -3.991   4.002   1.702  0.00  0.00    -0.244 NA
ATOM     30  C   LIG    1       -3.040   4.903   1.301  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1       -2.346   4.427   0.213  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6