REMARK  Name = BDB006684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.092  -0.095  -0.125  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        1.700  -0.270  -0.068  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.416   0.113  -0.690  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.553  -0.708   0.114  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.120  -1.470   1.120  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1       -0.336  -2.238   1.950  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.487  -1.156   0.943  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        2.681  -1.467   1.470  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1        3.694  -0.833   0.836  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.927  -0.744  -0.141  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -2.807  -1.420   0.624  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -4.170  -1.441   0.367  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1       -5.026  -2.203   1.265  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -4.744  -0.762  -0.702  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -5.945  -0.753  -0.958  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.788  -0.010  -1.572  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -4.377   0.723  -2.736  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -2.475  -0.025  -1.284  0.00  0.00    +0.033 A 
ENDBRANCH   4  10
BRANCH   3  19
ATOM     19  C   LIG    1        0.297   1.614  -0.509  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.007   2.203   0.733  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.107   3.591   0.862  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.095   4.407  -0.248  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -0.028   6.115  -0.089  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        0.396   3.847  -1.486  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.496   2.459  -1.617  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   8  26
ATOM     26  C   LIG    1        2.899  -2.402   2.587  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1        3.887  -2.117   3.694  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1        2.417  -2.105   3.988  0.00  0.00    +0.029 C 
ENDBRANCH   8  26
BRANCH   1  29
ATOM     29  C   LIG    1        3.900   0.762  -1.051  0.00  0.00    +0.216 C 
BRANCH  29  31
ATOM     30  C   LIG    1        3.437  -0.161  -3.202  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1        4.408   0.061  -2.194  0.00  0.00    -0.377 OA
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 5