REMARK  Name = BDB028399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.823  -3.877  -0.064  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.720  -3.360   0.714  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.063  -2.157   0.572  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.145  -2.124   1.615  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.328  -3.342   2.300  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.262  -4.108   1.738  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.746  -1.021   1.911  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.684  -0.588   0.963  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.524   0.496   1.246  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.417   1.145   2.473  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.279   2.304   2.750  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.132   2.678   1.741  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.734   3.477   1.915  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.278   2.054   0.541  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.230   2.898   3.821  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.491   0.711   3.429  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.537   1.013   0.293  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.660  -0.373   3.148  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.745   0.317  -1.050  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.671   0.701  -1.968  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        2.666   1.721  -2.046  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        2.901   0.362  -2.901  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.371  -1.161  -0.458  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -2.092   0.020  -0.177  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -2.355   0.973  -1.202  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.874   0.712  -2.509  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1       -2.114   1.630  -3.545  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -2.825   2.805  -3.312  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.304   3.081  -2.039  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -1.157  -0.463  -2.768  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1       -3.073   2.178  -0.999  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -0.906  -1.389  -1.757  0.00  0.00    +0.012 A 
BRANCH  24  33
ATOM     33  C   LIG    1       -2.578   0.252   1.157  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1       -2.985   0.448   2.228  0.00  0.00    -0.191 NA
ENDBRANCH  24  33
ENDBRANCH   3  23
TORSDOF 5