REMARK  Name = BDB015898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.501   2.114   0.114  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.205   0.974  -0.010  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.546   1.027   0.103  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.207   2.229   0.360  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.390   3.341   0.466  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.048   3.318   0.343  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.007   0.673  -0.335  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.612   0.785  -0.218  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.970   2.024  -0.008  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.790   3.164   0.080  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.179   3.072  -0.039  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.783   1.833  -0.247  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.964  -4.200  -0.290  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.045  -2.777  -0.517  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.085  -2.272  -1.203  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.837  -0.960  -1.224  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.639  -0.617  -0.554  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.157  -1.828  -0.100  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.643   2.342   0.529  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.423   3.365   0.030  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.707   3.084   0.404  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.888   3.863   0.119  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.821   1.943   1.105  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.564   1.500   1.193  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.280  -0.175  -0.026  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.022  -0.005  -0.703  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.502  -1.382  -0.344  0.00  0.00    +0.089 C 
ATOM     28  C   LIG    1       -2.438  -2.483  -0.878  0.00  0.00    +0.126 C 
ATOM     29  N   LIG    1       -1.777  -3.759  -1.057  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1       -2.283  -4.503  -1.524  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       -0.795  -4.218  -0.223  0.00  0.00    +0.213 C 
ATOM     32  O   LIG    1       -0.504  -5.410  -0.206  0.00  0.00    -0.276 OA
ATOM     33  C   LIG    1       -0.018  -3.186   0.564  0.00  0.00    +0.097 C 
ATOM     34  C   LIG    1       -0.829  -1.946   0.914  0.00  0.00    +0.033 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5