REMARK  Name = BDB006592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.470   0.995  -0.054  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.684   0.230   0.517  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.823   1.132   0.244  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.388   2.263  -0.433  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -2.366   3.120  -0.709  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -3.458   2.499  -0.193  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -4.750   3.136  -0.316  0.00  0.00    +0.172 C 
ATOM      8  C   LIG    1       -3.175   1.294   0.427  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -4.192   0.447   1.090  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        0.041   2.223  -0.653  0.00  0.00    +0.272 C 
ATOM     11  O   LIG    1        0.701   3.079  -1.221  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1        3.730  -2.361   1.649  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1        3.373  -1.119   0.897  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.501  -0.382   0.249  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1        5.649  -0.807   0.346  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1        4.144   0.774  -0.435  0.00  0.00    -0.316 N 
ATOM     17  C   LIG    1        5.178   1.557  -1.096  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1        2.832   1.215  -0.528  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        1.797   0.565   0.039  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        2.120  -0.647   0.783  0.00  0.00    +0.033 A 
ENDBRANCH   1  19
BRANCH   2  21
ATOM     21  C   LIG    1       -1.014  -1.070  -0.195  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.859  -1.231  -1.585  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.175  -2.443  -2.205  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.651  -3.507  -1.445  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -2.042  -4.998  -2.208  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -1.816  -3.371  -0.069  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.500  -2.160   0.552  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
TORSDOF 2