REMARK  Name = BDB015953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.179   2.127  -0.081  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.385   1.038  -0.083  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.947   1.213  -0.225  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.502   2.480  -0.399  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.601   3.529  -0.363  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.732   3.387  -0.206  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.561   0.405   0.345  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.181   0.623   0.191  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.633   1.919   0.080  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.530   3.001   0.128  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.904   2.804   0.281  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.416   1.512   0.389  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.503  -3.589   0.085  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.391  -2.704   0.336  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.270  -3.193   0.894  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.470  -2.126   0.968  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.074  -0.949   0.464  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.325  -1.369   0.060  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.919   2.746  -0.620  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.499   3.866  -0.150  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.779   3.780  -0.550  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.699   4.839  -0.210  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.053   2.655  -1.263  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -3.868   1.964  -1.335  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.772   0.071  -0.199  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.513   0.219   0.478  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.081  -1.216  -0.042  0.00  0.00    +0.135 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.059  -2.411  -0.032  0.00  0.00    +0.149 C 
ATOM     29  O   LIG    1       -2.801  -2.445  -1.270  0.00  0.00    -0.373 OA
ATOM     30  C   LIG    1       -4.075  -3.087  -1.153  0.00  0.00    +0.175 C 
ATOM     31  C   LIG    1       -4.118  -4.152  -0.048  0.00  0.00    +0.109 C 
ATOM     32  N   LIG    1       -3.827  -3.614   1.292  0.00  0.00    -0.311 NA
ATOM     33  H   LIG    1       -4.697  -3.374   1.767  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -2.986  -2.404   1.203  0.00  0.00    +0.114 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6