REMARK  Name = BDB013758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.820   0.604   0.151  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1        0.556   1.032  -0.222  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        1.162   0.808  -1.575  0.00  0.00    +0.058 C 
ATOM      4  C   LIG    1        2.643   0.411  -1.468  0.00  0.00    +0.110 C 
ATOM      5  N   LIG    1        3.389   1.159  -0.435  0.00  0.00    -0.325 N 
ATOM      6  C   LIG    1        2.665   2.158   0.371  0.00  0.00    +0.146 C 
ATOM      7  C   LIG    1        1.292   1.668   0.700  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        0.754   1.942   2.046  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1        1.450   2.510   2.885  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -0.549   1.527   2.261  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1       -1.179   1.729   3.552  0.00  0.00    +0.176 C 
ATOM     12  N   LIG    1       -1.310   0.862   1.335  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        4.482   0.476   0.111  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.668   0.303   1.491  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        5.773  -0.390   2.002  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        6.717  -0.924   1.133  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        8.075  -1.776   1.757  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        6.564  -0.771  -0.239  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        5.456  -0.079  -0.740  0.00  0.00    +0.024 A 
ENDBRANCH   5  13
BRANCH   1  20
ATOM     20  N   LIG    1       -1.614  -0.067  -0.759  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -1.149  -0.521  -1.534  0.00  0.00    +0.148 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -2.589  -2.118   0.131  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -2.881  -0.711  -0.392  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.808  -0.737  -1.642  0.00  0.00    +0.105 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.105  -1.423  -1.475  0.00  0.00    -0.307 NA
ATOM     26  C   LIG    1       -5.787  -1.530  -2.769  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1       -5.970  -0.724  -0.520  0.00  0.00    +0.104 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5