REMARK  Name = BDB022857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.305  -2.820  -2.775  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.234  -1.757  -2.498  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.483  -1.074  -1.205  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.554  -0.185  -1.134  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.228   0.071  -2.135  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.472  -1.332  -0.118  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.892  -1.159  -0.605  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.211  -1.677  -1.845  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.516  -1.517  -2.232  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.434  -0.882  -1.480  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        4.029  -0.391  -0.298  0.00  0.00    +0.215 A 
ATOM     12  N   LIG    1        2.784  -0.521   0.180  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        1.169  -2.409  -2.623  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -1.847   0.510   0.201  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.339   0.932   0.290  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -3.493   2.168   1.201  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -2.737   3.346   0.745  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -3.596   4.313   0.064  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -1.576   3.014  -0.091  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -0.904   1.718   0.359  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.204  -0.247   0.725  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.920  -0.966  -0.245  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.704  -2.065   0.111  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.779  -2.464   1.443  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.066  -1.769   2.417  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.280  -0.670   2.061  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.912   0.292   0.523  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        4.495   0.287   1.445  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.279  -0.179   0.457  0.00  0.00    +0.108 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.172   0.513   1.453  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1        6.898   1.903   1.978  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        6.780   0.716   2.898  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5