REMARK  Name = BDB018521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.067  -5.437  -0.347  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.115  -4.340  -0.241  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.218  -4.622   0.017  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        0.692  -5.744   0.167  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.114  -3.443   0.119  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.653  -2.191  -0.056  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -0.771  -1.967  -0.359  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.575  -3.048  -0.425  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.643  -1.117   0.128  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        1.618  -0.258   1.207  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1        2.506   0.741   1.399  0.00  0.00    -0.222 NA
ATOM     12  C   LIG    1        3.460   0.895   0.468  0.00  0.00    +0.215 A 
ATOM     13  N   LIG    1        3.575   0.112  -0.617  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1        2.667  -0.874  -0.763  0.00  0.00    +0.124 A 
BRANCH  12  15
ATOM     15  N   LIG    1        4.361   1.941   0.687  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        4.248   2.223   1.653  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        5.694   1.881   0.102  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        6.846   1.270   0.848  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        6.798   2.754   0.629  0.00  0.00    +0.024 C 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -1.307  -0.655  -0.580  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.433  -0.131   0.016  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.623   1.135  -0.495  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -1.605   1.468  -1.334  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -0.841   0.378  -1.407  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.662   2.084  -0.236  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1       -4.926   1.750   0.296  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1       -5.851   2.784   0.551  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -7.422   2.474   1.217  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -5.543   4.117   0.265  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -4.314   4.441  -0.294  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.385   3.434  -0.547  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -5.354   0.396   0.501  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -5.683  -0.707   0.655  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 6