REMARK  Name = BDB008400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.474  -1.881   0.275  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.586  -2.357  -0.540  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.645  -3.706  -0.896  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.337  -4.585  -0.442  0.00  0.00    +0.043 A 
ATOM      5 CL   LIG    1       -0.263  -6.250  -0.876  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -1.380  -4.135   0.363  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -1.449  -2.788   0.718  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.298   1.744   1.451  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -1.621   1.650   0.069  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -1.429   0.202  -0.374  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1       -0.541  -0.497   0.574  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -0.711  -0.164   2.001  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -2.073   0.463   2.281  0.00  0.00    +0.023 C 
BRANCH   8  14
ATOM     14  C   LIG    1       -3.797   2.061   1.303  0.00  0.00    +0.081 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -4.443   2.231   2.599  0.00  0.00    -0.330 NA
ATOM     16  H   LIG    1       -5.425   2.470   2.460  0.00  0.00    +0.118 HD
ATOM     17  H   LIG    1       -4.028   3.022   3.090  0.00  0.00    +0.118 HD
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  N   LIG    1        1.551  -1.399  -0.923  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        1.389  -0.480  -0.503  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        2.639  -1.554  -1.750  0.00  0.00    +0.251 C 
ATOM     21  O   LIG    1        2.931  -2.586  -2.347  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.470  -0.353  -1.907  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1        3.335   0.916  -1.245  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1        4.314   1.828  -1.633  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        4.314   3.095  -1.071  0.00  0.00    +0.129 A 
ATOM     26  N   LIG    1        3.374   3.415  -0.159  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        2.472   2.477   0.161  0.00  0.00    +0.221 A 
ATOM     28  S   LIG    1        5.378   1.155  -2.791  0.00  0.00    -0.093 S 
ATOM     29  N   LIG    1        2.379   1.236  -0.331  0.00  0.00    -0.234 NA
ATOM     30  C   LIG    1        4.555  -0.337  -2.770  0.00  0.00    +0.061 A 
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 5