REMARK  Name = BDB012881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.915  -1.074  -1.096  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.505  -0.975  -0.522  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.007  -2.341  -0.518  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.319  -2.778  -0.447  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.592  -3.952  -0.698  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.046  -3.275  -0.883  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        1.336  -2.491  -0.707  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.372  -1.857  -0.091  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -4.683  -2.212  -0.285  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -5.019  -3.091  -0.668  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -5.574  -1.275   0.072  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.821  -0.284   0.560  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.442  -0.605   0.488  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.468   0.961   1.097  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -5.181   1.145   2.588  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.037   2.202   0.311  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        3.004   0.222  -1.247  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        1.825  -0.064  -0.586  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.747   0.200   0.387  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        3.279  -0.289  -2.329  0.00  0.00    -0.275 OA
BRANCH  17  21
ATOM     21  C   LIG    1        3.949   1.205  -0.518  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        5.125   1.536  -1.458  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        3.191   2.508  -0.213  0.00  0.00    +0.020 C 
BRANCH  21  25
ATOM     24  C   LIG    1        5.484   1.319   1.581  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.459   0.525   0.780  0.00  0.00    +0.012 C 
ENDBRANCH  21  25
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 5