REMARK  Name = BDB034962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.247  -2.826   0.541  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.962  -1.353   0.459  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.648  -0.894   0.363  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.476   0.504   0.279  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.176   0.978   0.178  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.920   0.112   0.160  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        0.640  -1.243   0.254  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -2.492   1.391   0.290  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.740   0.916   0.389  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.609  -1.758   0.353  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.020  -0.436   0.467  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.275   0.620   0.059  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        3.362  -0.085  -0.419  0.00  0.00    +0.116 A 
ATOM     14  N   LIG    1        4.431   0.763  -0.355  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1        5.790   0.483  -0.751  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        4.122   1.976   0.134  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        2.813   1.890   0.381  0.00  0.00    +0.143 A 
ENDBRANCH   6  12
BRANCH   9  18
ATOM     18  N   LIG    1       -4.767   1.853   0.371  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -5.391   1.746   1.162  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -4.336   2.774   0.352  0.00  0.00    +0.144 HD
ENDBRANCH   9  18
TORSDOF 2