REMARK  Name = BDB049825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.229   0.412  -0.078  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        1.876  -0.622   0.758  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1        1.346  -1.436   0.485  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        2.383  -0.377   2.007  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        3.071   0.826   1.875  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        3.730   1.364   2.997  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.658   0.662   4.215  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        2.957  -0.543   4.312  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.304  -1.093   3.204  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.968   1.291   0.578  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        4.487   2.636   2.934  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.038   3.102   3.925  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.552   3.271   1.728  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.059   4.140   1.653  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.090   2.892   0.902  0.00  0.00    +0.145 HD
ENDBRANCH   6  11
BRANCH   1  18
ATOM     16  N   LIG    1        0.839  -0.292  -1.895  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        0.184  -0.594  -1.184  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        1.872   0.538  -1.486  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        2.415   1.320  -2.263  0.00  0.00    -0.267 OA
BRANCH  16  23
ATOM     20  N   LIG    1       -2.026  -0.791  -1.793  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -2.216   0.461  -2.544  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -0.883   0.981  -3.107  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        0.191  -0.114  -3.196  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -0.454  -1.426  -3.645  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -1.598  -1.861  -2.716  0.00  0.00    +0.086 C 
BRANCH  20  26
ATOM     26  C   LIG    1       -3.237  -1.202  -1.062  0.00  0.00    +0.087 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -4.792  -0.866   0.887  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -3.548  -0.330   0.175  0.00  0.00    -0.003 C 
ATOM     29  C   LIG    1       -2.370  -0.278   1.153  0.00  0.00    +0.008 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 5