REMARK  Name = BDB023031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.945   1.930   0.241  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.034   2.123   1.456  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.022   1.055   1.233  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.199   1.094  -0.286  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.084   1.491  -0.846  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -5.235  -2.374  -0.622  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1       -4.228  -1.604  -0.923  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1       -3.571  -0.627  -0.044  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -3.728  -0.197   1.298  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -2.800   0.802   1.537  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -2.029   0.963   0.406  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1       -2.529   0.119  -0.545  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1       -2.104  -0.021  -1.812  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -1.369   0.559  -2.211  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -2.756  -0.949  -2.585  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -3.737  -1.711  -2.220  0.00  0.00    -0.216 NA
BRANCH   6  17
ATOM     17  N   LIG    1       -5.808  -2.289   0.604  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -6.411  -1.464   0.644  0.00  0.00    +0.164 HD
ATOM     19  H   LIG    1       -6.445  -3.080   0.719  0.00  0.00    +0.164 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        0.619   3.411   1.418  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.037   4.082   1.683  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        2.213   1.370   1.945  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        2.307   2.344   1.896  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        1.619  -0.248  -0.923  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.061  -0.615  -0.645  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        3.415  -1.451   0.425  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.754  -1.761   0.678  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.751  -1.235  -0.138  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        7.401  -1.614   0.171  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.421  -0.402  -1.205  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.082  -0.092  -1.456  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        0.747  -1.305  -0.509  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -0.144  -1.099  -0.843  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7