REMARK  Name = BDB029683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.741   1.355  -0.574  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.542   1.484  -2.034  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.386   2.460  -2.361  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.101   2.165  -1.687  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.363   2.066  -0.232  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.491   1.090   0.181  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.114  -0.638   0.910  0.00  0.00    +0.160 A 
ATOM      8  C   LIG    1        5.849  -0.718  -0.446  0.00  0.00    +0.156 A 
ATOM      9  F   LIG    1        6.622  -1.410  -1.294  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.729  -0.059  -0.954  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        3.873   0.665  -0.115  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.256   0.697   1.236  0.00  0.00    +0.134 A 
ATOM     13  N   LIG    1        5.332   0.068   1.778  0.00  0.00    -0.246 NA
BRANCH   7  17
ATOM     14  C   LIG    1        8.534  -1.644   3.629  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.398  -1.173   2.884  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.731  -0.536   3.312  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.298  -1.327   1.514  0.00  0.00    +0.265 C 
ATOM     18  O   LIG    1        8.107  -1.959   0.847  0.00  0.00    -0.268 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.530   0.959  -2.241  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.950   0.763  -1.771  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -2.364  -0.432  -1.172  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.690  -0.562  -0.774  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.565   0.498  -0.989  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.954   0.360  -0.572  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -6.422  -0.752   0.031  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -5.455  -1.903   0.231  0.00  0.00    +0.253 A 
ATOM     27  O   LIG    1       -5.814  -2.964   0.735  0.00  0.00    -0.268 OA
ATOM     28  N   LIG    1       -4.204   1.661  -1.569  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1       -4.155  -1.732  -0.171  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1       -3.542  -2.520  -0.019  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -2.906   1.766  -1.945  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.833  -0.907   0.448  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -8.537   0.198   1.200  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.149  -1.059   1.916  0.00  0.00    +0.009 C 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5