REMARK  Name = BDB018141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.434  -1.890   0.260  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        0.653  -1.223   1.617  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -0.642  -0.557   2.107  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -0.579   0.858   1.496  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.805   1.090   1.089  0.00  0.00    -0.345 OA
ATOM      6  C   LIG    1        1.580  -0.000   1.640  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.475   1.056   0.360  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -2.847   1.019   0.465  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -3.386   1.256  -0.791  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -4.785   1.246  -0.888  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -5.513   1.017   0.221  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -4.861   0.800   1.379  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -2.293   1.454  -1.677  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -3.535   0.782   1.594  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -1.133   1.342  -0.940  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -5.476   1.478  -2.069  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -6.444   1.705  -1.874  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -4.999   2.079  -2.727  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1       -0.595  -0.471   3.548  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1       -0.213  -1.327   3.838  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1        1.053  -2.224   2.562  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1        1.778  -2.748   2.174  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1        2.997  -0.099   1.031  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.137  -0.346  -0.454  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        2.699   0.594  -1.400  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        2.836   0.353  -2.769  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.428  -0.828  -3.208  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        3.596  -1.128  -4.893  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        3.894  -1.763  -2.288  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.756  -1.520  -0.918  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  O   LIG    1        3.711   1.113   1.318  0.00  0.00    -0.384 OA
ATOM     32  H   LIG    1        3.066   1.839   1.229  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH   6  23
TORSDOF 7