REMARK  Name = BDB035036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.519  -0.970   1.171  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.531  -0.112   1.607  0.00  0.00    -0.281 N 
ATOM      3  O   LIG    1       -0.700  -2.188   1.140  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1        5.877  -0.107  -2.419  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        4.740   0.134  -1.466  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        4.726   1.238  -0.595  0.00  0.00    +0.120 A 
ATOM      7  N   LIG    1        3.740   1.496   0.278  0.00  0.00    -0.231 NA
ATOM      8  C   LIG    1        2.708   0.625   0.285  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1        2.650  -0.487  -0.539  0.00  0.00    +0.066 A 
ATOM     10  N   LIG    1        1.484  -1.141  -0.238  0.00  0.00    -0.349 N 
ATOM     11  H   LIG    1        1.172  -2.011  -0.650  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1        0.755  -0.452   0.715  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        1.540   0.629   1.085  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1        3.668  -0.771  -1.443  0.00  0.00    +0.034 A 
BRANCH   6  15
ATOM     15  N   LIG    1        5.793   2.152  -0.598  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        5.886   2.559  -1.522  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.652   1.665  -0.367  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.669  -0.704   2.357  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -2.197  -1.331   3.678  0.00  0.00    +0.036 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -3.565  -1.619   1.518  0.00  0.00    +0.149 A 
ATOM     21  N   LIG    1       -4.022  -1.128   0.342  0.00  0.00    -0.238 NA
ATOM     22  C   LIG    1       -4.840  -1.926  -0.369  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1       -5.235  -3.174   0.045  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -4.745  -3.574   1.264  0.00  0.00    +0.114 A 
ATOM     25  N   LIG    1       -3.930  -2.817   2.022  0.00  0.00    -0.238 NA
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   2  26
ATOM     26  C   LIG    1       -1.533   1.349   1.454  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.280   1.886   0.060  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -0.496   2.992  -0.023  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1       -0.217   3.473  -1.258  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1       -0.717   2.923  -2.426  0.00  0.00    +0.036 A 
ATOM     31 BR   LIG    1       -0.281   3.655  -4.106  0.00  0.00    -0.049 Br
ATOM     32  C   LIG    1       -1.552   1.819  -2.329  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1       -1.842   1.294  -1.071  0.00  0.00    +0.026 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6