REMARK  Name = BDB013078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.927  -0.065  -0.089  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -2.452   1.261   0.096  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.131   1.409   0.439  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.948   2.748   0.622  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -2.062   3.390   0.348  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.252   0.332   0.580  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.691  -0.888   0.423  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -3.014   2.449   0.015  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -2.020  -1.053   0.079  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.166  -1.223   0.276  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.308  -0.410  -0.489  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -4.810   0.101  -1.688  0.00  0.00    +0.121 A 
ATOM     13  N   LIG    1       -6.029  -0.190  -2.200  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -6.793  -1.034  -1.481  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1       -6.404  -1.579  -0.267  0.00  0.00    +0.043 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -4.748  -1.854   1.465  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1       -5.517  -2.139   2.066  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -4.054  -1.320   1.984  0.00  0.00    +0.142 HD
ENDBRANCH  10  16
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  N   LIG    1        1.071   0.538   0.903  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.457  -0.361   1.192  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.964   1.097  -0.109  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.387   0.963   0.357  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1        4.170  -0.141   0.032  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.870  -1.309  -0.831  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.054  -2.203  -0.462  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.123  -1.379   0.054  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.481  -0.244   0.478  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.069   0.726   1.262  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        5.297   1.829   1.622  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        3.968   1.945   1.180  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5