REMARK  Name = BDB015749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.858  -0.862  -0.652  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.270   0.227   0.017  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.370   1.215   0.170  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.905   1.127  -0.352  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.228  -0.030  -1.029  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.352  -1.024  -1.203  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.825   2.419   0.915  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.128   2.760   0.859  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.639   3.868   1.521  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.059   4.155   1.391  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.844   4.705   2.297  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.233   5.703   2.895  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.411   4.322   2.388  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.049   3.246   1.737  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.481  -0.221  -1.619  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        2.398  -1.140  -2.059  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.620  -0.202  -0.692  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1        4.478   1.038  -0.965  0.00  0.00    +0.033 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.415  -1.491  -0.854  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        5.168  -1.758  -2.010  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.872  -2.957  -2.142  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.826  -3.909  -1.127  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.071  -3.668   0.018  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.366  -2.470   0.152  0.00  0.00    +0.005 A 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -1.748  -1.905  -0.879  0.00  0.00    -0.420 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -4.260  -1.419  -2.128  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -4.127  -1.718  -0.663  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -2.867  -1.927  -0.081  0.00  0.00    +0.170 A 
ATOM     29  C   LIG    1       -2.760  -2.223   1.280  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -1.560  -2.468   1.828  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -3.891  -2.275   2.086  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.146  -2.043   1.525  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -5.263  -1.768   0.158  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 6