REMARK  Name = BDB000996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.001  -0.897   1.163  0.00  0.00    +0.114 A 
ATOM      2  N   LIG    1       -0.912  -0.259  -0.055  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -0.048  -0.015  -0.532  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.180   0.042  -0.486  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.001  -0.422   0.531  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -4.389  -0.259   0.424  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.908   0.379  -0.709  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.061   0.835  -1.724  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.667   0.664  -1.643  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -2.264  -0.998   1.535  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        1.968   0.120   0.312  0.00  0.00    -0.300 NA
ATOM     12  C   LIG    1        2.394  -1.264   0.543  0.00  0.00    +0.085 C 
ATOM     13  C   LIG    1        1.213  -2.130   1.010  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1        0.218  -1.383   1.935  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -0.255  -2.359   3.036  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        0.936  -0.196   2.604  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1        1.602   0.755   1.596  0.00  0.00    +0.085 C 
BRANCH  11  19
ATOM     18  C   LIG    1        2.525   2.396  -0.600  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        2.953   0.924  -0.454  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        3.165   0.366  -1.871  0.00  0.00    +0.024 C 
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1       -1.723   1.116  -2.695  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -0.520   1.204  -2.485  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -2.234   1.393  -3.933  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -3.141   1.064  -4.228  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -1.550   1.572  -4.658  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 3