REMARK  Name = BDB047827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203  -1.085  -1.074  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.839  -0.534  -0.291  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -2.137  -1.051  -0.424  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -2.422  -2.101  -1.315  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -1.366  -2.628  -2.074  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.065  -2.127  -1.957  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.525   0.517   0.610  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.256   1.782   0.346  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.219   2.169   1.492  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.619   2.212   2.844  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -1.217   3.565   3.219  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -0.476   1.277   2.965  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -0.584   0.061   2.022  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1       -3.789  -2.632  -1.445  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -4.413  -2.727  -2.695  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.703  -3.229  -2.767  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -6.410  -3.642  -1.695  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -5.796  -3.550  -0.498  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -4.511  -3.059  -0.325  0.00  0.00    +0.028 A 
ENDBRANCH   4  14
BRANCH   1  21
ATOM     20  C   LIG    1        2.659  -0.824  -1.513  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        1.474  -0.501  -0.897  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.452   0.248  -0.208  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        2.836  -1.700  -2.353  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        5.702   1.699   1.737  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        5.279   1.268   0.360  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.171   0.422   0.142  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        3.298  -0.177   1.518  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.816   0.047  -1.167  0.00  0.00    +0.056 A 
ATOM     29  C   LIG    1        4.589   0.491  -2.253  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        5.686   1.321  -2.042  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        6.017   1.703  -0.748  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1        7.077   2.504  -0.574  0.00  0.00    -0.205 F 
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 4