REMARK  Name = BDB004944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.145   0.739  -0.306  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1        0.170   1.001  -1.283  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.212   0.028   0.204  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.530  -0.029  -0.509  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        2.802   0.777  -1.551  0.00  0.00    -0.013 C 
ATOM      6  C   LIG    1        4.118   0.719  -2.267  0.00  0.00    +0.033 C 
ATOM      7  C   LIG    1        4.873  -0.599  -2.053  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        4.624  -1.243  -0.708  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1        3.514  -0.965   0.012  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        3.260  -1.525   1.240  0.00  0.00    -0.235 NA
ATOM     11  C   LIG    1        2.117  -1.327   1.814  0.00  0.00    +0.223 A 
ATOM     12  N   LIG    1        1.064  -0.610   1.327  0.00  0.00    -0.220 NA
BRANCH   8  13
ATOM     13  C   LIG    1        5.691  -2.204  -0.296  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        6.500  -2.655  -1.099  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        5.752  -2.537   1.016  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.390  -3.268   1.294  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        4.974  -2.295   1.623  0.00  0.00    +0.145 HD
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.207   0.703   0.256  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.908   1.971  -0.225  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.821   1.992  -1.291  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.408   3.191  -1.705  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.086   4.387  -1.069  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.174   4.389  -0.018  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.588   3.192   0.398  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.891  -0.657  -0.103  0.00  0.00    +0.111 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.865  -2.053  -0.200  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1       -3.290  -0.829   0.351  0.00  0.00    -0.300 NA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.462  -0.634   1.806  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -4.215  -1.577   2.706  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -2.721  -1.492   2.799  0.00  0.00    +0.020 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 7