REMARK  Name = BDB058763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.216  -2.621   0.301  0.00  0.00    +0.243 A 
ATOM      2  C   LIG    1        1.756  -3.661  -0.423  0.00  0.00    +0.121 A 
ATOM      3 CL   LIG    1        3.198  -4.486  -0.010  0.00  0.00    -0.076 Cl
ATOM      4  C   LIG    1        1.028  -4.013  -1.531  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.128  -3.412  -1.895  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.586  -2.420  -1.110  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.051  -2.009  -0.008  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -1.775  -1.838  -1.536  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -2.079  -2.299  -2.382  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -2.580  -0.805  -1.047  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1       -2.313  -0.091   0.122  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.157   0.943   0.552  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -4.300   1.297  -0.175  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -4.574   0.588  -1.349  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -3.725  -0.445  -1.774  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.151   2.381   0.311  0.00  0.00    +0.179 A 
ATOM     17  N   LIG    1       -6.357   2.755  -0.220  0.00  0.00    -0.239 N 
ATOM     18  H   LIG    1       -6.868   2.372  -1.002  0.00  0.00    +0.192 HD
ATOM     19  N   LIG    1       -6.876   3.783   0.462  0.00  0.00    -0.046 NA
ATOM     20  N   LIG    1       -5.994   4.040   1.415  0.00  0.00    -0.023 NA
ATOM     21  N   LIG    1       -4.924   3.182   1.337  0.00  0.00    -0.108 NA
ENDBRANCH  13  16
ENDBRANCH   8  10
ENDBRANCH   6   8
BRANCH   1  22
ATOM     22  O   LIG    1        1.823  -2.202   1.469  0.00  0.00    -0.437 OA
BRANCH  22  26
ATOM     23  C   LIG    1        4.683   0.833   1.198  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        4.907  -0.321   1.953  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.937  -1.323   2.027  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        2.739  -1.183   1.330  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        2.498  -0.023   0.590  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        3.471   0.980   0.520  0.00  0.00    +0.049 A 
BRANCH  23  30
ATOM     29  C   LIG    1        5.520   2.940   0.483  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        5.712   1.733   1.211  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 6