REMARK  Name = BDB056576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.422   0.598   0.436  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.274  -0.072  -0.727  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -1.354  -0.575  -1.376  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -2.637  -0.418  -0.848  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.773   0.266   0.357  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1       -4.112   0.281   0.669  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1       -4.510   0.706   1.494  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -4.830  -0.365  -0.302  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -3.943  -0.810  -1.257  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -1.671   0.791   1.033  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -6.362  -0.549  -0.301  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -7.231  -0.098   0.663  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -8.474  -0.486   0.250  0.00  0.00    -0.274 N 
ATOM     14  C   LIG    1       -9.727  -0.249   0.924  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1       -8.469  -1.158  -0.916  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.176  -1.195  -1.251  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.701   1.124   1.120  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        0.520   2.090   1.383  0.00  0.00    +0.154 HD
BRANCH  17  23
ATOM     19  C   LIG    1        4.864   0.565   0.400  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        4.387   1.749   0.972  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        3.016   1.926   1.192  0.00  0.00    +0.063 A 
ATOM     22 CL   LIG    1        2.493   3.411   1.918  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        2.076   0.942   0.830  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        2.569  -0.248   0.284  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        3.941  -0.431   0.061  0.00  0.00    +0.010 A 
BRANCH  19  30
ATOM     26  C   LIG    1        9.349  -1.489  -0.187  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        8.264  -0.544  -0.081  0.00  0.00    -0.274 N 
ATOM     28  N   LIG    1        8.516   0.770  -0.210  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        7.315   1.333  -0.057  0.00  0.00    +0.142 A 
ATOM     30  C   LIG    1        6.287   0.386   0.170  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.948  -0.826   0.150  0.00  0.00    +0.116 A 
ENDBRANCH  19  30
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 4