REMARK  Name = BDB008395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.500  -2.327  -0.558  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1        0.536  -1.860   0.292  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.458  -2.782   0.809  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        1.361  -4.138   0.493  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.342  -4.579  -0.347  0.00  0.00    +0.043 A 
ATOM      6 CL   LIG    1        0.232  -6.254  -0.733  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1       -0.588  -3.684  -0.874  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   2   8
ATOM      8  N   LIG    1        0.636  -0.470   0.553  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.594   0.171  -0.366  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1        1.798   1.631   0.030  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        2.364   1.770   1.459  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        2.085   0.518   2.307  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1        0.730  -0.097   1.975  0.00  0.00    +0.105 C 
BRANCH  11  14
ATOM     14  C   LIG    1        3.865   2.081   1.469  0.00  0.00    +0.159 C 
BRANCH  14  15
ATOM     15  O   LIG    1        4.113   3.381   0.950  0.00  0.00    -0.395 OA
ATOM     16  H   LIG    1        4.066   3.337  -0.020  0.00  0.00    +0.209 HD
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   2   8
BRANCH   1  19
ATOM     17  O   LIG    1       -2.765  -2.541  -2.464  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -2.468  -1.499  -1.887  0.00  0.00    +0.251 C 
ATOM     19  N   LIG    1       -1.413  -1.351  -1.016  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1       -1.242  -0.424  -0.619  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -3.252  -0.280  -2.119  0.00  0.00    +0.070 A 
ATOM     22  C   LIG    1       -3.104   1.008  -1.496  0.00  0.00    +0.093 A 
ATOM     23  C   LIG    1       -4.037   1.934  -1.957  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1       -4.021   3.220  -1.439  0.00  0.00    +0.129 A 
ATOM     25  N   LIG    1       -3.111   3.543  -0.499  0.00  0.00    -0.243 NA
ATOM     26  C   LIG    1       -2.251   2.591  -0.110  0.00  0.00    +0.221 A 
ATOM     27  S   LIG    1       -5.073   1.254  -3.136  0.00  0.00    -0.093 S 
ATOM     28  N   LIG    1       -2.176   1.331  -0.554  0.00  0.00    -0.234 NA
ATOM     29  C   LIG    1       -4.298  -0.261  -3.029  0.00  0.00    +0.061 A 
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 5