REMARK  Name = BDB012758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.107  -1.190   0.194  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.153  -0.476   0.904  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.165  -1.059   1.135  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1        0.932   0.021   1.897  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1        0.334   1.312   1.329  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -1.141   0.957   1.174  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.841  -2.294  -0.277  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.411   0.075  -0.687  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.279   0.589   0.542  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -4.090   0.128   0.960  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.807   0.332   1.912  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.405  -0.589   0.022  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.272  -0.683  -1.049  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.895  -0.259  -0.840  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.645   0.319  -1.508  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.837   1.805  -1.818  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1        2.430  -0.082   1.805  0.00  0.00    +0.046 A 
ATOM     18  N   LIG    1        3.084  -0.225   2.981  0.00  0.00    -0.260 NA
ATOM     19  C   LIG    1        4.430  -0.323   2.946  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        5.174  -0.284   1.781  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        4.502  -0.135   0.569  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1        3.107  -0.030   0.587  0.00  0.00    +0.032 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.223  -0.078  -0.691  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.421  -0.712  -0.954  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.737  -0.415  -2.249  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        7.897  -0.857  -2.984  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        5.831   0.372  -2.854  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        4.910   0.573  -1.908  0.00  0.00    +0.142 A 
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 4