REMARK  Name = BDB028245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.864   1.613  -0.241  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.526   0.378  -0.382  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.926   0.299  -0.337  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -4.673   1.457  -0.149  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -6.141   1.367  -0.102  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -6.673   0.111  -0.254  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -7.686   0.030  -0.225  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.974  -1.040  -0.441  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -6.835   2.363   0.062  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -4.037   2.693  -0.005  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.673  -0.976  -0.484  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -2.643   2.767  -0.051  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.804   0.976   0.439  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        0.415   0.883   0.517  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.396   1.693  -0.290  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        0.267   2.582  -1.140  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.613   2.713  -1.228  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        2.352   1.913  -0.427  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1        2.534   0.176   1.284  0.00  0.00    -0.454 OA
BRANCH  19  25
ATOM     20  C   LIG    1        7.462  -2.013  -0.509  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1        6.163  -1.427  -0.031  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1        6.072  -0.704   1.170  0.00  0.00    +0.047 A 
ATOM     23 CL   LIG    1        7.454  -0.448   2.175  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.853  -0.170   1.591  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        3.715  -0.341   0.806  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1        3.779  -1.078  -0.377  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.000  -1.610  -0.796  0.00  0.00    +0.008 A 
ENDBRANCH  19  25
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -3.875  -2.268  -0.694  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.767  -3.427  -0.811  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -5.432  -3.230  -1.563  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -5.363  -3.443   0.021  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5