REMARK  Name = BDB036426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.266  -2.267   2.464  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -1.042  -1.687   1.463  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -0.957  -0.324   0.853  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -1.994  -0.365  -0.170  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -2.728  -1.540  -0.124  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.707  -1.839  -0.781  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.096  -2.396   0.885  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -2.427  -3.684   1.257  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.653  -4.282   2.251  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.583  -3.583   2.845  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.472   0.821  -0.870  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.235   1.775   0.065  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.633   1.477   1.189  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.464   3.035  -0.441  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.958   3.660   0.182  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.745   3.655  -1.432  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -2.811   4.871  -1.592  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -1.909   2.766  -2.322  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -1.341   1.587  -1.548  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.871  -1.526   3.107  0.00  0.00    +0.139 C 
BRANCH  20  23
ATOM     21  O   LIG    1        2.913   0.387   3.325  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        2.906  -0.368   2.357  0.00  0.00    +0.218 C 
ATOM     23  N   LIG    1        1.949  -1.337   2.165  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1        2.040  -1.987   1.397  0.00  0.00    +0.149 HD
BRANCH  22  25
ATOM     25  C   LIG    1        3.947  -0.295   1.255  0.00  0.00    +0.130 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.385   0.274  -0.027  0.00  0.00    -0.038 A 
ATOM     27  C   LIG    1        3.242  -0.531  -1.166  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        2.700  -0.004  -2.342  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        2.299   1.327  -2.374  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1        2.434   2.139  -1.256  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        2.978   1.616  -0.084  0.00  0.00    +0.007 A 
BRANCH  29  32
ATOM     32  O   LIG    1        1.758   1.877  -3.498  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1        1.863   1.248  -4.232  0.00  0.00    +0.292 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 6