REMARK  Name = BDB029633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.089  -0.206   0.692  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.159   0.697  -0.007  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.294   0.168   0.053  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.828  -0.113   1.404  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.264  -0.404   2.360  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.502  -1.077   1.725  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.118  -0.538  -0.343  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1       -5.548  -1.541   0.359  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1       -4.235  -1.392   0.672  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -3.421  -0.301   0.334  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -4.073   0.704  -0.392  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.424   0.596  -0.737  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -9.272  -0.525  -2.440  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -7.936  -0.280  -1.958  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.204  -0.156  -2.645  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -7.569  -0.703  -0.687  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1       -8.362  -1.193   0.109  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.681   0.967   1.922  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.010   1.072   1.213  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        3.801  -0.056   0.958  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        5.026   0.107   0.324  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        5.433   1.392  -0.028  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        6.720   1.566  -0.694  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        7.503   0.508  -0.967  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        7.062  -0.874  -0.588  0.00  0.00    +0.252 A 
ATOM     26  O   LIG    1        7.753  -1.859  -0.825  0.00  0.00    -0.268 OA
ATOM     27  C   LIG    1        8.831   0.620  -1.646  0.00  0.00    +0.049 C 
ATOM     28  N   LIG    1        4.705   2.503   0.213  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1        5.846  -0.990   0.037  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1        5.560  -1.927   0.286  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1        3.516   2.315   0.832  0.00  0.00    +0.116 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4