REMARK  Name = BDB021445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.541   0.526  -0.798  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -3.727  -0.604  -0.936  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.388  -0.524  -1.374  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -1.820  -1.765  -1.398  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.407  -1.836  -1.451  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.086  -1.357  -2.800  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.382   0.064  -2.773  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.476   1.035  -2.259  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.125   2.218  -2.262  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.844   0.718  -1.722  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -2.679   1.853  -1.582  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -3.998   1.764  -1.130  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -5.970   0.405  -0.314  0.00  0.00    +0.120 C 
BRANCH  13  16
ATOM     14  C   LIG    1       -6.262  -1.923   1.790  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -5.598  -0.562   1.960  0.00  0.00    +0.054 C 
ATOM     16  N   LIG    1       -6.197   0.484   1.129  0.00  0.00    -0.295 NA
ATOM     17  C   LIG    1       -5.817   1.752   1.746  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -6.053   1.472   3.220  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -5.779  -0.020   3.383  0.00  0.00    +0.020 C 
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   7  20
ATOM     20  C   LIG    1        1.599   0.522  -3.454  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.756   0.946  -2.519  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.783   1.530  -3.344  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        4.167   0.829  -3.896  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.336  -0.254  -1.725  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.133   0.076  -0.523  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.592  -1.170   0.124  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        5.521  -0.960   1.299  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.221   0.247   1.457  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.104   0.406   2.534  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.309  -0.637   3.436  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.631  -1.842   3.273  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.965   1.389   0.511  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.744  -2.006   2.208  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.281   0.952  -0.794  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 7