REMARK  Name = BDB028243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.135   1.347   0.183  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        2.973   0.254  -0.112  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        4.331   0.269   0.240  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        4.858   1.379   0.892  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        6.283   1.390   1.260  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        7.001   0.270   0.920  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        7.987   0.259   1.165  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        6.519  -0.830   0.282  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        6.786   2.347   1.835  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        4.044   2.474   1.195  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        5.259  -0.854  -0.049  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        2.693   2.455   0.842  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -1.478   0.279  -0.193  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1       -0.131   0.266   0.167  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        0.712   1.328  -0.189  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        0.126   2.365  -0.919  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1       -1.173   2.406  -1.300  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1       -1.946   1.357  -0.933  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1       -2.225  -0.815   0.174  0.00  0.00    -0.454 OA
BRANCH  19  25
ATOM     20  C   LIG    1       -7.779  -0.119   1.096  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.309  -0.277   0.837  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -5.859  -1.122  -0.189  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.488  -1.307  -0.422  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -4.022  -2.211  -1.526  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -3.571  -0.619   0.383  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1       -4.008   0.194   1.433  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -5.374   0.365   1.655  0.00  0.00    +0.007 A 
ENDBRANCH  19  25
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1        4.705  -2.089  -0.767  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.752  -3.099  -0.962  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        6.160  -3.302  -0.046  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        6.524  -2.650  -1.461  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5