REMARK  Name = BDB007101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.986   1.440   0.936  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.354   2.692   0.957  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.052   2.761   0.914  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        1.980   3.837   0.911  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.245   3.301   0.860  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.123   1.935   0.833  0.00  0.00    -0.346 N 
ATOM      7  C   LIG    1        1.790   1.574   0.866  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.171   0.314   0.863  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.227   0.266   0.904  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -3.075   0.346   0.340  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.520  -0.266  -0.240  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -2.474   1.408   0.978  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -3.097   2.307   1.531  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.523   0.215   0.258  0.00  0.00    +0.103 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.864  -1.252   0.051  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -5.352  -2.008   1.129  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -5.652  -3.363   0.973  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.461  -3.983  -0.259  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.966  -3.251  -1.335  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.664  -1.896  -1.182  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
BRANCH  14  22
ATOM     21  C   LIG    1       -6.625   1.165  -0.845  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -5.102   1.156  -0.820  0.00  0.00    +0.024 C 
ENDBRANCH  14  22
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        4.250   1.017   0.782  0.00  0.00    +0.126 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.577   0.600  -0.650  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.736  -0.365  -0.694  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        5.513  -1.747  -0.611  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.590  -2.633  -0.631  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        6.303  -4.327  -0.530  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        7.896  -2.158  -0.728  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        8.127  -0.784  -0.806  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        7.053   0.108  -0.787  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7