REMARK  Name = BDB046074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.896   0.267   0.131  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -1.969  -0.612  -0.006  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -1.880  -2.038  -0.294  0.00  0.00    +0.273 A 
ATOM      4  N   LIG    1       -3.058  -2.763  -0.258  0.00  0.00    -0.263 N 
ATOM      5  H   LIG    1       -2.855  -3.745  -0.428  0.00  0.00    +0.190 HD
ATOM      6  N   LIG    1       -4.210  -2.303  -0.948  0.00  0.00    -0.263 N 
ATOM      7  H   LIG    1       -4.745  -3.063  -1.365  0.00  0.00    +0.190 HD
ATOM      8  C   LIG    1       -5.074  -1.417  -0.334  0.00  0.00    +0.271 A 
ATOM      9  C   LIG    1       -4.545  -0.157   0.234  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -5.465   0.823   0.658  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.034   2.080   1.073  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.679   2.407   1.059  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -2.775   1.421   0.646  0.00  0.00    +0.048 A 
ATOM     14  O   LIG    1       -6.284  -1.629  -0.377  0.00  0.00    -0.266 OA
ATOM     15  O   LIG    1       -0.825  -2.648  -0.457  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.165   0.137   0.260  0.00  0.00    +0.025 A 
ATOM     17  N   LIG    1       -1.411   1.480   0.523  0.00  0.00    -0.354 N 
ATOM     18  H   LIG    1       -0.850   2.294   0.732  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  22
ATOM     19  C   LIG    1        3.347  -0.160  -0.238  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        2.641   0.721  -1.070  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        1.254   0.847  -0.957  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        0.548   0.098  -0.009  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1        1.251  -0.773   0.829  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        2.639  -0.902   0.716  0.00  0.00    +0.005 A 
BRANCH  19  25
ATOM     25  C   LIG    1        4.846  -0.293  -0.366  0.00  0.00    +0.116 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.964   0.750   0.091  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1        5.518   0.896   0.157  0.00  0.00    -0.315 NA
ATOM     28  H   LIG    1        5.232   1.030   1.127  0.00  0.00    +0.122 HD
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 3