REMARK  Name = BDB047623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.100   2.465   1.716  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.933   2.087   0.245  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.064   0.937   0.108  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.265   1.092  -0.520  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.415  -0.408   0.190  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.694  -0.908   0.518  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.871  -2.290   0.757  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.825  -3.200   0.636  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.567  -2.740   0.290  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.886  -0.166   0.622  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.699  -0.643   0.995  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.212   1.082   0.203  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.363   1.485   0.392  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.359  -1.364   0.095  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.218   1.922  -0.530  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.027  -0.918  -0.239  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        1.009  -1.435   0.587  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        0.690  -1.958   1.393  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        0.177  -0.130  -1.166  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.402  -1.231   0.499  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.027  -0.536  -0.541  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        4.425  -0.372  -0.575  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        5.188  -0.925   0.463  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.575  -1.624   1.503  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.189  -1.777   1.518  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.077   0.353  -1.659  0.00  0.00    +0.155 A 
ATOM     27  O   LIG    1        4.277   0.850  -2.657  0.00  0.00    -0.442 OA
ATOM     28  C   LIG    1        5.143   1.462  -3.508  0.00  0.00    +0.308 A 
ATOM     29  N   LIG    1        6.407   1.406  -3.156  0.00  0.00    -0.224 NA
ATOM     30  C   LIG    1        6.373   0.701  -1.978  0.00  0.00    +0.160 A 
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 3