REMARK  Name = BDB015982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.757   1.979  -0.208  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.199   1.043  -0.364  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.489   1.402  -0.199  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.844   2.721   0.081  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.786   3.600   0.226  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.513   3.266   0.087  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.840  -0.231  -0.624  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.508   0.191  -0.478  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.163   1.554  -0.361  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.215   2.488  -0.392  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.544   2.085  -0.539  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.854   0.731  -0.655  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.932  -4.545  -1.910  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.081  -3.544  -1.315  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.081  -3.927  -0.500  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.515  -2.771  -0.141  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.143  -1.647  -0.727  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.160  -2.192  -1.484  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.212   3.208   0.211  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.523   4.185   1.081  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.844   4.377   0.923  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.516   5.371   1.725  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.400   3.575  -0.024  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.370   2.809  -0.513  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.476   0.406  -0.343  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -3.117   0.454   0.447  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.021  -0.955  -0.627  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.520  -1.688   0.618  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1       -2.622  -2.054   1.601  0.00  0.00    +0.086 C 
ATOM     30  N   LIG    1       -1.984  -3.081   2.420  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1       -2.671  -3.628   2.934  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -1.222  -3.925   1.498  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -0.907  -3.049   0.290  0.00  0.00    +0.021 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6