REMARK  Name = BDB019158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.648  -1.347  -0.620  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1        0.016  -1.362   0.756  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1        1.385  -1.935   0.404  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        1.669  -1.242  -0.935  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.390  -0.895  -1.530  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -2.623   1.773  -0.244  0.00  0.00    +0.255 C 
ATOM      7  O   LIG    1       -1.512   0.883  -0.296  0.00  0.00    -0.341 OA
ATOM      8  C   LIG    1       -1.893  -0.436  -0.741  0.00  0.00    +0.183 C 
ATOM      9  C   LIG    1       -3.130  -0.964  -0.015  0.00  0.00    -0.013 A 
ATOM     10  C   LIG    1       -3.911  -0.099   0.778  0.00  0.00    -0.036 A 
ATOM     11  C   LIG    1       -5.040  -0.582   1.456  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -5.419  -1.914   1.316  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -4.683  -2.770   0.503  0.00  0.00    +0.020 A 
ATOM     14 CL   LIG    1       -6.810  -2.500   2.141  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -3.550  -2.296  -0.164  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.512   1.346   0.924  0.00  0.00    +0.096 C 
BRANCH   6  18
ATOM     17  C   LIG    1       -1.544   3.681  -1.120  0.00  0.00    +0.197 C 
ATOM     18  O   LIG    1       -2.184   3.107   0.011  0.00  0.00    -0.354 OA
ENDBRANCH   6  18
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  N   LIG    1        2.494  -0.049  -0.788  0.00  0.00    -0.303 N 
ATOM     20  C   LIG    1        3.843  -0.100  -0.529  0.00  0.00    +0.148 A 
ATOM     21  C   LIG    1        4.315   1.202  -0.444  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        5.683   1.359  -0.183  0.00  0.00    +0.129 A 
ATOM     23  N   LIG    1        6.446   0.260  -0.026  0.00  0.00    -0.220 NA
ATOM     24  C   LIG    1        5.858  -0.947  -0.136  0.00  0.00    +0.225 A 
ATOM     25  C   LIG    1        3.200   2.059  -0.658  0.00  0.00    +0.033 A 
ATOM     26  N   LIG    1        4.564  -1.225  -0.376  0.00  0.00    -0.218 NA
ATOM     27  C   LIG    1        2.093   1.262  -0.860  0.00  0.00    +0.091 A 
BRANCH  22  28
ATOM     28  N   LIG    1        6.306   2.592  -0.055  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        5.709   3.338   0.274  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        7.204   2.495   0.403  0.00  0.00    +0.144 HD
ENDBRANCH  22  28
ENDBRANCH   4  19
BRANCH   2  31
ATOM     31  O   LIG    1       -0.657  -2.134   1.740  0.00  0.00    -0.386 OA
ATOM     32  H   LIG    1       -1.489  -1.681   1.963  0.00  0.00    +0.210 HD
ENDBRANCH   2  31
BRANCH   3  33
ATOM     33  O   LIG    1        1.309  -3.359   0.205  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1        2.222  -3.697   0.246  0.00  0.00    +0.210 HD
ENDBRANCH   3  33
TORSDOF 6