REMARK  Name = BDB003066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.405  -0.695  -0.060  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1       -1.579   0.046   0.075  0.00  0.00    -0.282 N 
ATOM      3  H   LIG    1       -1.451   1.038   0.206  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.327  -1.903  -0.250  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.917  -0.429   0.067  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -3.990   0.491   0.146  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -5.311  -0.004   0.227  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -5.579  -1.369   0.173  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.528  -2.265   0.053  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.211  -1.799   0.006  0.00  0.00    +0.023 A 
BRANCH   6  11
ATOM     11  C   LIG    1       -3.803   1.991   0.209  0.00  0.00    +0.192 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -4.829   2.693  -0.488  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -5.017   2.192  -1.302  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1        0.839   0.202   0.049  0.00  0.00    +0.324 C 
BRANCH  14  15
ATOM     15  O   LIG    1        2.034  -0.549  -0.091  0.00  0.00    -0.483 OA
BRANCH  15  18
ATOM     16  C   LIG    1        4.258  -2.163  -0.394  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1        4.377  -0.679  -0.168  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        3.227   0.119  -0.017  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        3.363   1.495   0.192  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        4.633   2.078   0.251  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        5.768   1.287   0.102  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        7.328   2.009   0.175  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        5.647  -0.085  -0.107  0.00  0.00    +0.027 A 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6