REMARK  Name = BDB000436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.829   1.277  -1.563  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.027   0.185  -1.370  0.00  0.00    +0.169 A 
ATOM      3  C   LIG    1        1.266   0.680  -1.411  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        2.316  -0.241  -1.218  0.00  0.00    +0.151 A 
ATOM      5  N   LIG    1        1.989  -1.546  -1.039  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        0.685  -1.880  -1.042  0.00  0.00    +0.226 A 
ATOM      7 CL   LIG    1        0.358  -3.543  -0.812  0.00  0.00    -0.041 Cl
ATOM      8  N   LIG    1        1.264   2.044  -1.616  0.00  0.00    -0.231 NA
ATOM      9  N   LIG    1       -0.398  -1.090  -1.177  0.00  0.00    -0.198 NA
ATOM     10  C   LIG    1       -0.009   2.366  -1.710  0.00  0.00    +0.203 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.848   0.152  -0.294  0.00  0.00    +0.237 C 
ATOM     12  C   LIG    1       -4.274   0.075  -1.757  0.00  0.00    +0.185 C 
ATOM     13  C   LIG    1       -2.972   0.332  -2.495  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1       -2.276   1.318  -1.555  0.00  0.00    +0.254 C 
ATOM     15  O   LIG    1       -2.726   1.052  -0.210  0.00  0.00    -0.339 OA
BRANCH  11  19
ATOM     16  C   LIG    1       -2.255  -2.318   2.108  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1       -2.746  -1.138   1.444  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1       -2.239  -0.268   1.576  0.00  0.00    +0.148 HD
ATOM     19  C   LIG    1       -3.499  -1.223   0.289  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -3.918  -2.274  -0.184  0.00  0.00    -0.273 OA
ENDBRANCH  11  19
BRANCH  12  21
ATOM     21  O   LIG    1       -5.181   1.150  -2.083  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -6.048   0.917  -1.699  0.00  0.00    +0.210 HD
ENDBRANCH  12  21
BRANCH  13  23
ATOM     23  O   LIG    1       -3.207   0.888  -3.791  0.00  0.00    -0.385 OA
ATOM     24  H   LIG    1       -4.080   1.333  -3.732  0.00  0.00    +0.210 HD
ENDBRANCH  13  23
ENDBRANCH   1  14
BRANCH   4  25
ATOM     25  N   LIG    1        3.652   0.175  -1.204  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        3.684   1.191  -1.140  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.514  -0.503  -0.248  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.230  -0.044   1.165  0.00  0.00    -0.029 A 
ATOM     29  C   LIG    1        3.385  -0.795   1.997  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1        3.079  -0.344   3.281  0.00  0.00    +0.014 A 
ATOM     31  I   LIG    1        1.795  -1.453   4.481  0.00  0.00    -0.044 I 
ATOM     32  C   LIG    1        3.616   0.852   3.755  0.00  0.00    +0.014 A 
ATOM     33  C   LIG    1        4.459   1.604   2.936  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        4.760   1.163   1.646  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 7