REMARK  Name = BDB025195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.090  -1.053   0.110  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.253  -0.286  -0.721  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.837   0.753  -1.604  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.645   0.121  -2.753  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.820   1.715  -2.239  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.727   2.063  -1.256  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.043   0.783  -0.877  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.641   0.705  -0.737  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.299   1.683  -0.925  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.469   1.143  -0.640  0.00  0.00    +0.118 A 
ATOM     11  N   LIG    1       -1.320  -0.202  -0.343  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.036  -0.484  -0.357  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.780  -1.635  -0.087  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.174  -1.548  -0.217  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.820  -0.365  -0.603  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.735  -1.912   0.910  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.358  -1.199  -0.085  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -3.120  -0.965   1.228  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -4.071  -2.130   1.556  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.720  -2.758   0.314  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -4.710  -1.819  -0.887  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.287  -1.436  -1.293  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.346  -3.203   2.338  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -2.178  -3.529   2.215  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.152  -3.838   3.209  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.570  -4.503   3.637  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.302  -1.440   0.818  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.409  -0.711  -0.025  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.760   1.904  -0.676  0.00  0.00    +0.150 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.889   2.893   0.461  0.00  0.00    +0.136 A 
ATOM     31  N   LIG    1       -3.005   2.406   1.718  0.00  0.00    -0.238 NA
ATOM     32  C   LIG    1       -3.113   3.317   2.712  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -3.140   4.675   2.502  0.00  0.00    +0.077 A 
ATOM     34 CL   LIG    1       -3.284   5.795   3.785  0.00  0.00    -0.080 Cl
ATOM     35  C   LIG    1       -3.053   5.070   1.188  0.00  0.00    +0.134 A 
ATOM     36  N   LIG    1       -2.941   4.208   0.153  0.00  0.00    -0.238 NA
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6