REMARK  Name = BDB014360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.004  -2.909   0.302  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.688  -1.794  -0.127  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.157  -1.093  -0.636  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.523  -3.962   0.648  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.039  -1.584  -0.167  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.568  -0.440  -0.962  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        1.844   0.394  -1.488  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.966  -0.468  -0.886  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.324  -1.539  -0.001  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.378  -2.421  -0.532  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.116  -2.145   0.404  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.160  -3.241   1.421  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.662   0.818  -0.784  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.159   0.757  -1.093  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        6.763   2.160  -1.218  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        6.081   3.200  -0.327  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.470   2.570   0.918  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.410   1.520   0.570  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -1.839  -0.241   0.954  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.270  -1.586   0.501  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.562  -2.009   0.246  0.00  0.00    +0.170 A 
ATOM     22  O   LIG    1       -3.540  -3.332  -0.065  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1       -2.247  -3.796  -0.063  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.467  -2.748   0.249  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.911  -1.371   0.294  0.00  0.00    +0.191 C 
ATOM     26  O   LIG    1       -4.734   0.026   0.019  0.00  0.00    -0.361 OA
ATOM     27  C   LIG    1       -5.927   0.794   0.274  0.00  0.00    +0.144 C 
ATOM     28  C   LIG    1       -7.132   0.139  -0.369  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -7.114  -1.111  -0.856  0.00  0.00    -0.026 C 
ATOM     30  C   LIG    1       -5.881  -1.958  -0.744  0.00  0.00    +0.066 C 
BRANCH  27  31
ATOM     31  C   LIG    1       -5.672   2.236  -0.235  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1       -4.383   2.815   0.364  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -6.833   3.187   0.075  0.00  0.00    +0.010 C 
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5