REMARK  Name = BDB036347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.303  -0.125  -0.939  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.754  -1.265  -0.002  0.00  0.00    -0.033 A 
ATOM      3  C   LIG    1       -2.316  -1.130   1.288  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1       -2.592   0.187   1.950  0.00  0.00    +0.046 C 
ATOM      5  C   LIG    1       -2.635  -2.313   1.973  0.00  0.00    +0.070 A 
ATOM      6  N   LIG    1       -3.208  -2.421   3.272  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1       -2.650  -1.884   3.936  0.00  0.00    +0.168 HD
ATOM      8  N   LIG    1       -3.252  -3.817   3.592  0.00  0.00    -0.161 NA
ATOM      9  H   LIG    1       -4.223  -4.069   3.817  0.00  0.00    +0.168 HD
ATOM     10  N   LIG    1       -2.866  -4.543   2.414  0.00  0.00    -0.251 N 
ATOM     11  C   LIG    1       -2.072  -5.750   2.602  0.00  0.00    +0.151 C 
ATOM     12  C   LIG    1       -2.429  -3.605   1.459  0.00  0.00    +0.086 A 
ATOM     13  C   LIG    1       -1.876  -3.742   0.204  0.00  0.00    +0.065 A 
ATOM     14 CL   LIG    1       -1.612  -5.259  -0.567  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -1.535  -2.583  -0.506  0.00  0.00    +0.026 A 
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.194   0.177  -0.863  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1        0.861   0.318   0.361  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        2.210   0.636   0.360  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1        3.104   0.802   1.549  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1        4.291   1.545   0.924  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        4.363   1.095  -0.542  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        2.921   0.801  -0.835  0.00  0.00    -0.039 A 
ATOM     23  C   LIG    1        2.300   0.647  -2.072  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        0.925   0.353  -2.064  0.00  0.00    +0.010 A 
BRANCH  23  25
ATOM     25  C   LIG    1        3.075   0.837  -3.349  0.00  0.00    +0.191 C 
BRANCH  25  26
ATOM     26  O   LIG    1        2.354   0.376  -4.485  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1        2.919   0.536  -5.257  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  16
BRANCH   1  28
ATOM     28  C   LIG    1       -2.212   1.111  -1.089  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.651   2.404  -0.549  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1       -1.829   2.824   0.587  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -0.927   3.042  -1.511  0.00  0.00    -0.465 OA
BRANCH  31  33
ATOM     32  C   LIG    1        0.548   4.775  -2.225  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -0.248   4.219  -1.060  0.00  0.00    +0.229 C 
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8