REMARK  Name = BDB019162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.100  -1.024  -1.335  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.875   0.199  -2.234  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.439  -0.153  -2.901  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.206  -0.845  -1.773  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.201  -1.563  -1.010  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.948   0.154  -0.838  0.00  0.00    +0.183 C 
ATOM      7  C   LIG    1        2.806  -0.465   0.268  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        3.444   0.384   1.206  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1        4.232  -0.171   2.232  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        4.388  -1.549   2.336  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        3.767  -2.393   1.426  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1        5.351  -2.210   3.599  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.297   1.884   1.131  0.00  0.00    +0.198 C 
ATOM     14  O   LIG    1        3.846   2.386  -0.077  0.00  0.00    -0.349 OA
ATOM     15  C   LIG    1        2.956   2.294  -1.175  0.00  0.00    +0.324 C 
ATOM     16  C   LIG    1        2.983  -1.854   0.401  0.00  0.00    +0.008 A 
ATOM     17  O   LIG    1        2.783   0.972  -1.663  0.00  0.00    -0.344 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1       -5.260   0.827   2.869  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1       -4.704   0.581   1.501  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.437   0.031   1.255  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -2.351  -0.432   2.045  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -1.365  -0.869   1.187  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1       -1.810  -0.689  -0.102  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1       -3.071  -0.138  -0.074  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1       -3.804   0.186  -1.157  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1       -5.001   0.695  -0.806  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1       -5.481   0.910   0.433  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1       -1.892   0.404  -3.218  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1       -2.743   0.439  -2.726  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1        0.178  -1.085  -3.965  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -0.593  -0.715  -4.445  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4