REMARK  Name = BDB012559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.717  -0.053  -0.764  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        1.337   0.064  -0.567  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        0.355   0.847   0.133  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -0.891   0.288  -0.245  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.761  -0.882  -1.155  0.00  0.00    +0.161 C 
ATOM      6  O   LIG    1        0.639   1.784   0.859  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        0.711  -0.902  -1.297  0.00  0.00    +0.058 A 
ATOM      8  N   LIG    1        1.637  -1.637  -1.956  0.00  0.00    -0.349 N 
ATOM      9  C   LIG    1        1.401  -2.762  -2.827  0.00  0.00    +0.148 C 
ATOM     10  C   LIG    1        2.879  -1.122  -1.634  0.00  0.00    +0.109 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.132   0.847   0.150  0.00  0.00    +0.131 A 
ATOM     12  N   LIG    1       -2.095   1.859   1.037  0.00  0.00    -0.211 NA
ATOM     13  C   LIG    1       -3.296   2.350   1.383  0.00  0.00    +0.180 A 
ATOM     14  C   LIG    1       -4.540   1.942   0.938  0.00  0.00    +0.134 A 
ATOM     15  N   LIG    1       -5.510   2.703   1.537  0.00  0.00    -0.128 NA
ATOM     16  N   LIG    1       -4.911   3.577   2.342  0.00  0.00    -0.063 NA
ATOM     17  C   LIG    1       -4.592   0.893   0.013  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -5.863   0.346  -0.558  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1       -3.581   3.363   2.249  0.00  0.00    -0.230 N 
ATOM     20  C   LIG    1       -2.659   4.164   3.006  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1       -3.341   0.357  -0.373  0.00  0.00    +0.049 A 
ENDBRANCH   4  11
BRANCH   5  22
ATOM     22  C   LIG    1       -1.300  -2.186  -0.588  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -1.089  -2.555   0.752  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.584  -3.765   1.245  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.287  -4.621   0.402  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -2.896  -6.112   1.008  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -2.498  -4.279  -0.931  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -2.005  -3.069  -1.425  0.00  0.00    +0.007 A 
ENDBRANCH   5  22
BRANCH   1  30
ATOM     29  C   LIG    1        5.032   0.642  -0.372  0.00  0.00    +0.405 C 
ATOM     30  N   LIG    1        3.683   0.746  -0.193  0.00  0.00    -0.249 N 
ATOM     31  H   LIG    1        3.372   1.486   0.424  0.00  0.00    +0.158 HD
ATOM     32  O   LIG    1        5.638  -0.164  -1.063  0.00  0.00    -0.226 OA
BRANCH  29  33
ATOM     33  O   LIG    1        5.635   1.615   0.366  0.00  0.00    -0.450 OA
BRANCH  33  35
ATOM     34  C   LIG    1        7.586   2.758   1.137  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        7.065   1.623   0.276  0.00  0.00    +0.230 C 
ENDBRANCH  33  35
ENDBRANCH  29  33
ENDBRANCH   1  30
TORSDOF 5