REMARK  Name = BDB029626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.175  -1.443   1.418  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.171  -0.723   0.168  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.614  -0.963  -0.332  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.586  -0.517   0.679  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.169  -0.640   2.087  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -1.028  -1.673   2.247  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.884  -0.172   0.343  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.466  -0.467  -0.897  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -5.729  -0.149  -1.291  0.00  0.00    -0.250 NA
ATOM     10  C   LIG    1       -6.488   0.519  -0.391  0.00  0.00    +0.106 A 
ATOM     11  C   LIG    1       -6.027   0.872   0.866  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -4.721   0.523   1.224  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.838   0.851  -0.833  0.00  0.00    +0.157 A 
ATOM     14  N   LIG    1       -8.301   0.503  -2.081  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1       -7.744   0.003  -2.761  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -9.587   0.945  -2.204  0.00  0.00    +0.104 A 
ATOM     17  C   LIG    1       -9.864   1.556  -1.005  0.00  0.00    +0.130 A 
ATOM     18  N   LIG    1       -8.782   1.494  -0.164  0.00  0.00    -0.235 NA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.226  -0.748   2.172  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.853   0.390  -0.912  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        6.208   1.711  -0.608  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1        6.726   2.775  -0.930  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1        5.005   1.683   0.050  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1        4.589   2.582   0.248  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.366   0.496   0.427  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        4.954  -0.733   0.135  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1        4.407  -1.922   0.459  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1        3.216  -1.876   1.102  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1        2.546  -0.699   1.443  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1        3.146   0.516   1.092  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        6.235  -0.753  -0.561  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1        9.331   0.758  -0.724  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        8.166   0.416  -1.643  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5