REMARK  Name = BDB041030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.384  -0.772   0.653  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.239   0.115  -0.296  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.665  -0.333  -0.299  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.877   0.228  -0.785  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.910  -0.612  -0.613  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -4.358  -1.722  -0.087  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -5.194  -2.866   0.178  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -4.103   1.544  -1.434  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -3.014  -1.598   0.108  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -2.148  -2.558   0.563  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -2.426  -3.522   0.696  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1       -0.811  -2.266   0.712  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -0.028  -3.164   1.032  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -1.202   1.577   0.131  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1       -0.524   2.505  -0.678  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -0.450   3.842  -0.302  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        0.198   4.713  -1.087  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -1.034   4.290   0.876  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -1.701   3.383   1.697  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -1.780   2.037   1.331  0.00  0.00    +0.004 A 
ENDBRANCH   2  14
BRANCH   1  22
ATOM     21  C   LIG    1        1.667  -0.939  -0.746  0.00  0.00    +0.245 C 
ATOM     22  N   LIG    1        1.071  -0.670   0.469  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        1.624  -0.902   1.285  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1        1.040  -1.158  -1.774  0.00  0.00    -0.270 OA
BRANCH  21  28
ATOM     25  C   LIG    1        6.142   0.476   1.103  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.321  -0.307   0.120  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        3.921  -0.241   0.154  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        3.154  -0.996  -0.746  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        3.791  -1.808  -1.690  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        5.183  -1.889  -1.717  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.943  -1.149  -0.810  0.00  0.00    +0.003 A 
ENDBRANCH  21  28
ENDBRANCH   1  22
TORSDOF 3