REMARK  Name = BDB021844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.504   1.501  -0.624  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.596   0.670  -0.892  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.345  -0.680  -0.854  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.416  -0.957  -0.593  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.704   1.141  -1.145  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.239  -1.746  -1.098  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        4.575  -1.587  -1.470  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        5.382  -2.707  -1.692  0.00  0.00    +0.085 A 
ATOM      9 CL   LIG    1        7.032  -2.479  -2.151  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        4.867  -3.997  -1.548  0.00  0.00    +0.153 A 
ATOM     11  C   LIG    1        3.534  -4.162  -1.179  0.00  0.00    +0.085 A 
ATOM     12 CL   LIG    1        2.839  -5.730  -0.986  0.00  0.00    -0.080 Cl
ATOM     13  C   LIG    1        2.725  -3.043  -0.956  0.00  0.00    +0.047 A 
BRANCH  10  14
ATOM     14  O   LIG    1        5.658  -5.096  -1.766  0.00  0.00    -0.504 OA
ATOM     15  H   LIG    1        6.546  -4.777  -2.011  0.00  0.00    +0.292 HD
ENDBRANCH  10  14
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1       -1.957  -0.840   0.250  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1       -1.430  -0.037   1.364  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        0.009   0.388   1.081  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        0.117   1.108  -0.270  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1       -0.618   0.385  -1.407  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.022  -0.040  -0.976  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -3.212  -1.542   0.614  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -3.442  -2.733  -0.324  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -4.479  -0.674   0.827  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -6.455  -1.200  -0.702  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.293  -0.260  -0.406  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1        1.770   2.946  -0.629  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.833   3.527   0.766  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        2.895   3.198   1.622  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.953   3.721   2.914  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.952   4.579   3.365  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.893   4.916   2.523  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.834   4.394   1.230  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8