REMARK  Name = BDB024836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.112   2.282   2.290  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.544   1.124   1.725  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.430  -0.022   1.423  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.081   0.137   0.043  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.715  -1.359   1.588  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.510  -1.433   0.680  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.647  -0.211   0.824  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.296  -0.278   0.412  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.391  -1.338  -0.127  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.615  -0.914  -0.363  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1        1.746   0.402   0.025  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1        0.533   0.828   0.522  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        0.084   2.041   1.034  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.264   2.107   1.423  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.151   1.018   1.332  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -3.520   3.296   2.642  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -6.105   3.324   3.001  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -5.471   2.178   2.431  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        2.942   1.217  -0.074  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.184   1.746  -1.473  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1        2.126   2.393  -2.075  0.00  0.00    -0.301 N 
ATOM     22  H   LIG    1        1.189   2.247  -1.713  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1        4.289   1.662  -2.005  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.233   2.864  -3.448  0.00  0.00    +0.223 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.872   1.823  -4.425  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1        1.559   1.009  -5.191  0.00  0.00    -0.195 NA
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1        2.696  -1.752  -0.968  0.00  0.00    +0.097 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.118  -2.859  -0.010  0.00  0.00    +0.151 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.281  -3.575  -0.501  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1        4.155  -4.433  -1.529  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1        5.399  -4.877  -1.726  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        6.318  -4.310  -0.823  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.563  -3.467  -0.041  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 8