REMARK  Name = BDB054661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.858   0.889  -0.043  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.610  -0.205  -0.560  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.926   0.037  -0.497  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -3.045   1.306  -0.038  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.815   1.846   0.243  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.137  -1.472  -1.117  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.711  -2.680  -0.696  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -1.251  -3.898  -1.205  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -0.220  -3.910  -2.142  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1        0.351  -5.409  -2.764  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        0.350  -2.716  -2.580  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.112  -1.498  -2.073  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -4.324   1.913   0.111  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -4.457   3.223   0.592  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -5.727   3.792   0.728  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -6.865   3.063   0.389  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.740   1.761  -0.090  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.476   1.185  -0.230  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   1  21
ATOM     19  N   LIG    1        1.270  -0.071   0.446  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        0.724  -0.914   0.566  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        0.574   1.087   0.160  0.00  0.00    +0.252 C 
ATOM     22  O   LIG    1        1.051   2.215   0.109  0.00  0.00    -0.270 OA
BRANCH  19  26
ATOM     23  C   LIG    1        5.411  -0.704   1.014  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        4.953   0.577   0.713  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.584   0.815   0.522  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.659  -0.223   0.631  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        3.123  -1.508   0.931  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.489  -1.744   1.120  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1        7.689  -0.038   1.130  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.712  -1.068   1.222  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 5