REMARK  Name = BDB053778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.741   0.711  -0.374  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.040   2.078  -0.422  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1        0.033   2.763  -0.992  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.892   1.798  -1.527  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        2.002   2.210  -2.283  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.219   3.569  -2.388  0.00  0.00    +0.113 A 
ATOM      7  N   LIG    1        1.458   4.500  -1.788  0.00  0.00    -0.241 NA
ATOM      8  C   LIG    1        0.371   4.116  -1.078  0.00  0.00    +0.154 A 
ATOM      9 CL   LIG    1       -0.382   5.403  -0.242  0.00  0.00    -0.060 Cl
ATOM     10  C   LIG    1        0.422   0.518  -1.111  0.00  0.00    +0.107 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.029  -0.752  -1.481  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.094  -1.201  -0.710  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        2.686  -0.497   0.431  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.166  -0.871   0.630  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.437  -2.310   0.772  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.533  -2.553   1.757  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.375  -3.143   0.181  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.670  -2.508  -1.028  0.00  0.00    +0.123 C 
ATOM     19  O   LIG    1        0.635  -1.355  -2.477  0.00  0.00    -0.270 OA
ENDBRANCH  10  11
BRANCH   2  20
ATOM     20  C   LIG    1       -2.295   2.643  -0.038  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -2.926   2.248   1.147  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.166   2.789   1.493  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.786   3.714   0.654  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.170   4.098  -0.535  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.929   3.562  -0.887  0.00  0.00    +0.026 A 
ENDBRANCH   2  20
BRANCH   1  26
ATOM     26  O   LIG    1       -1.609  -0.128   0.217  0.00  0.00    -0.438 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -0.399  -0.620   2.775  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -0.659  -1.700   1.764  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -1.265  -1.422   0.524  0.00  0.00    +0.136 A 
ATOM     30  C   LIG    1       -1.625  -2.456  -0.356  0.00  0.00    -0.008 A 
ATOM     31  C   LIG    1       -2.396  -2.191  -1.619  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1       -1.316  -3.777  -0.006  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -0.678  -4.062   1.201  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -0.364  -3.032   2.086  0.00  0.00    +0.007 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 4