REMARK  Name = BDB049491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.141   0.098   0.888  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        2.593   1.420   1.022  0.00  0.00    +0.181 A 
ATOM      3  C   LIG    1        1.799   2.373   1.670  0.00  0.00    +0.087 A 
ATOM      4 CL   LIG    1        2.335   4.002   1.877  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        0.539   2.023   2.157  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.068   0.715   2.010  0.00  0.00    -0.019 A 
ATOM      7  C   LIG    1        0.883  -0.247   1.395  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -1.246   0.367   2.565  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1       -2.274  -0.163   1.889  0.00  0.00    +0.062 C 
ATOM     10  C   LIG    1       -3.584  -0.498   2.471  0.00  0.00    +0.069 C 
ATOM     11  C   LIG    1       -3.938  -0.300   3.908  0.00  0.00    +0.068 C 
ATOM     12  N   LIG    1       -4.409  -0.991   1.589  0.00  0.00    -0.177 NA
ATOM     13  N   LIG    1       -3.719  -1.015   0.376  0.00  0.00    -0.156 N 
ATOM     14  C   LIG    1       -2.403  -0.527   0.454  0.00  0.00    +0.272 C 
ATOM     15  O   LIG    1       -1.536  -0.409  -0.393  0.00  0.00    -0.268 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -4.393  -1.513  -0.769  0.00  0.00    +0.060 A 
ATOM     17  C   LIG    1       -5.717  -1.972  -0.664  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -6.402  -2.468  -1.778  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.774  -2.513  -3.018  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.464  -2.062  -3.143  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.779  -1.566  -2.027  0.00  0.00    +0.025 A 
ENDBRANCH  13  16
ENDBRANCH   6   8
BRANCH   1  22
ATOM     22  O   LIG    1        3.000  -0.781   0.280  0.00  0.00    -0.489 OA
BRANCH  22  24
ATOM     23  C   LIG    1        3.514  -2.720  -1.002  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        2.458  -2.024  -0.163  0.00  0.00    +0.226 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   2  25
ATOM     25  O   LIG    1        3.845   1.774   0.578  0.00  0.00    -0.476 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.830   2.007  -0.831  0.00  0.00    +0.349 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.122   2.654  -1.301  0.00  0.00    +0.345 C 
ATOM     28  O   LIG    1        5.646   2.420  -2.385  0.00  0.00    -0.247 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.581   3.567  -0.400  0.00  0.00    -0.466 OA
ATOM     30  C   LIG    1        6.786   4.224  -0.793  0.00  0.00    +0.280 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 8