REMARK  Name = BDB035038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.092  -0.712   1.723  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.147  -0.230   1.279  0.00  0.00    -0.281 N 
ATOM      3  O   LIG    1        0.219  -1.214   2.838  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1        5.314   1.419  -3.090  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        4.543   0.626  -2.075  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        4.993  -0.626  -1.630  0.00  0.00    +0.120 A 
ATOM      7  N   LIG    1        4.349  -1.402  -0.742  0.00  0.00    -0.231 NA
ATOM      8  C   LIG    1        3.195  -0.896  -0.253  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1        2.688   0.340  -0.630  0.00  0.00    +0.066 A 
ATOM     10  N   LIG    1        1.524   0.524   0.071  0.00  0.00    -0.349 N 
ATOM     11  H   LIG    1        0.931   1.348   0.021  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1        1.238  -0.580   0.846  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        2.302  -1.455   0.688  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1        3.349   1.142  -1.555  0.00  0.00    +0.034 A 
BRANCH   6  15
ATOM     15  N   LIG    1        6.185  -1.170  -2.123  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        6.961  -0.540  -1.959  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.313  -2.051  -1.630  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.251  -0.274   2.270  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -3.350   0.762   2.017  0.00  0.00    +0.036 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.883  -1.661   2.438  0.00  0.00    +0.149 A 
ATOM     21  N   LIG    1       -2.984  -2.465   1.355  0.00  0.00    -0.238 NA
ATOM     22  C   LIG    1       -3.550  -3.671   1.551  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1       -4.042  -4.093   2.763  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -3.927  -3.192   3.793  0.00  0.00    +0.114 A 
ATOM     25  N   LIG    1       -3.371  -1.974   3.658  0.00  0.00    -0.238 NA
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   2  26
ATOM     26  C   LIG    1       -1.492  -0.161  -0.150  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.603   1.258  -0.693  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -0.720   2.195  -0.248  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1       -0.839   3.451  -0.747  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1       -1.779   3.816  -1.696  0.00  0.00    +0.036 A 
ATOM     31 BR   LIG    1       -1.866   5.584  -2.341  0.00  0.00    -0.049 Br
ATOM     32  C   LIG    1       -2.655   2.847  -2.164  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1       -2.566   1.550  -1.660  0.00  0.00    +0.026 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6