REMARK  Name = BDB022276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.340  -3.305   3.037  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.693  -2.293   2.054  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -0.685  -1.683   1.252  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.042  -0.692   0.319  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.007  -0.035  -0.386  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.346  -0.375  -0.236  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.666  -1.387   0.663  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.480  -0.330   0.108  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.361  -0.902   0.939  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        0.667  -2.031   1.400  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.015  -1.899   1.972  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -3.919  -2.337   2.682  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.314   0.356  -0.953  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.950   0.731  -1.828  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.675   0.630  -0.687  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.592   0.843  -1.733  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.923   1.062  -1.402  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        7.151   1.339  -2.578  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        6.404   1.084  -0.142  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        5.516   0.877   0.857  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        4.164   0.648   0.627  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.170   0.836  -3.098  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        3.770   0.840  -4.187  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        6.080   0.915   2.243  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        7.233   1.147   2.558  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        5.157   0.648   3.190  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        5.666   0.711   4.027  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  N   LIG    1       -2.744   0.548  -0.935  0.00  0.00    -0.335 N 
ATOM     29  H   LIG    1       -2.132   0.385  -1.740  0.00  0.00    +0.147 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.009   1.177  -1.390  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.143   1.532  -0.462  0.00  0.00    +0.030 C 
ATOM     32  C   LIG    1       -5.306   0.406  -1.448  0.00  0.00    +0.030 C 
BRANCH  30  33
ATOM     33  C   LIG    1       -3.754   2.167  -2.530  0.00  0.00    +0.181 C 
BRANCH  33  34
ATOM     34  O   LIG    1       -2.801   1.597  -3.432  0.00  0.00    -0.393 OA
ATOM     35  H   LIG    1       -2.728   2.218  -4.177  0.00  0.00    +0.209 HD
ENDBRANCH  33  34
ENDBRANCH  30  33
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 9