REMARK  Name = BDB049382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.210  -1.503  -0.535  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.260  -1.881   0.426  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.964  -1.350   0.344  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.884  -1.569   1.159  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.097  -0.839   0.667  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1        0.323  -0.153  -0.454  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.646  -0.462  -0.677  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.574  -0.062  -1.645  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.864  -0.603  -1.551  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        7.099   0.070  -0.308  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.813  -1.381  -0.388  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.555  -2.035  -0.473  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.878  -3.374  -0.513  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.106  -4.628  -0.613  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.230  -3.510  -0.450  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.821  -2.263  -0.378  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -0.485   0.742  -1.266  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.433   2.185  -0.743  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.299   3.096  -1.514  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -0.949   4.515  -1.261  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -1.398   5.037   0.114  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -2.808   4.863   0.298  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -3.173   3.486   0.159  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -2.741   2.928  -1.209  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  25
ATOM     25  C   LIG    1       -1.473  -0.756   1.243  0.00  0.00    +0.079 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.381  -1.850   0.677  0.00  0.00    +0.043 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.820  -1.626   1.072  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -4.728  -1.056   0.166  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -6.053  -0.826   0.541  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1       -6.470  -1.164   1.825  0.00  0.00    +0.117 A 
ATOM     31  C   LIG    1       -5.585  -1.726   2.735  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1       -4.261  -1.958   2.361  0.00  0.00    +0.007 A 
BRANCH  30  33
ATOM     33  O   LIG    1       -7.754  -0.957   2.233  0.00  0.00    -0.507 OA
ATOM     34  H   LIG    1       -8.261  -0.590   1.491  0.00  0.00    +0.292 HD
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 8