REMARK  Name = BDB012895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.732   0.277   1.109  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.213  -0.429   0.381  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.569  -0.571   0.896  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.329  -1.316  -0.207  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.617  -0.841  -1.472  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.159  -0.773  -1.035  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.428   0.833   2.162  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.146   0.904  -0.006  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.977  -0.349  -0.448  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.744  -0.675  -0.029  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.423  -1.624  -0.185  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.070   0.344   0.581  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.988   1.373   0.657  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.612   0.952   0.465  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.435   1.643  -0.228  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.727   1.843  -1.716  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.751  -1.044  -0.229  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        4.087  -0.231  -0.725  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.585  -1.629   0.696  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1        4.216  -2.477   1.497  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1        6.003  -1.172   0.709  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1        6.706  -0.612  -0.505  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        6.361   0.294   0.642  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4