REMARK  Name = BDB042695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.975  -0.043  -0.906  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        1.944  -0.341   0.599  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        0.538  -0.219   1.168  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -0.404  -1.118   0.501  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -1.591  -1.571   1.069  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -2.305  -2.402   0.506  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.061  -1.562  -0.849  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.684  -0.480  -1.620  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        3.115  -0.723  -1.533  0.00  0.00    -0.341 N 
ATOM     10  H   LIG    1        3.025  -1.737  -1.541  0.00  0.00    +0.146 HD
BRANCH   9  14
ATOM     11  C   LIG    1        7.163   0.434  -1.120  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        6.149   1.341  -0.799  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        4.802   0.969  -0.919  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.434  -0.316  -1.333  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.464  -1.199  -1.689  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        6.811  -0.840  -1.573  0.00  0.00    +0.017 A 
BRANCH  11  17
ATOM     17  C   LIG    1        8.608   0.772  -1.014  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1        9.506  -0.008  -1.290  0.00  0.00    -0.245 OA
BRANCH  17  20
ATOM     19  C   LIG    1       10.137   2.443  -0.446  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        8.771   2.045  -0.571  0.00  0.00    -0.464 OA
ENDBRANCH  17  20
ENDBRANCH  11  17
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  21
ATOM     21  C   LIG    1       -1.946  -1.019   2.443  0.00  0.00    +0.102 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.402  -1.290   2.833  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.372  -0.386   2.109  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1       -4.494   0.902   2.574  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -3.956   1.211   3.374  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -5.329   1.855   2.037  0.00  0.00    +0.257 A 
ATOM     27  O   LIG    1       -5.386   2.990   2.498  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.150   1.437   0.874  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.040   0.117   0.390  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -6.819  -0.273  -0.721  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -7.684   0.666  -1.308  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -7.773   1.961  -0.806  0.00  0.00    +0.124 A 
ATOM     33  F   LIG    1       -8.606   2.834  -1.386  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -6.753  -1.660  -1.301  0.00  0.00    +0.044 C 
ATOM     35  C   LIG    1       -7.014   2.360   0.281  0.00  0.00    +0.052 A 
ATOM     36  C   LIG    1       -5.109  -0.798   1.066  0.00  0.00    +0.030 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7