REMARK  Name = BDB015978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.185   0.407  -0.008  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.042   0.536  -0.710  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.834   1.497  -0.348  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -0.588   2.328   0.745  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        0.624   2.127   1.381  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.524   1.185   1.032  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.308  -1.783  -0.197  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.400  -0.778   0.179  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.126  -0.657  -0.414  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.788  -1.594  -1.409  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.676  -2.600  -1.793  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.929  -2.694  -1.190  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        9.120  -2.659   0.674  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.740  -2.263   0.811  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.325  -1.702   1.960  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.030  -1.460   1.737  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.607  -1.870   0.449  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.753  -2.385  -0.124  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.505   3.348   1.240  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -1.049   4.500   1.765  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -2.156   5.173   2.122  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -2.028   6.476   2.728  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -3.310   4.502   1.859  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -2.925   3.310   1.294  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.016   1.646  -1.105  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.079   2.621  -1.394  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.197   0.738  -2.236  0.00  0.00    +0.103 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.735  -0.630  -1.802  0.00  0.00    +0.021 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.131  -0.537  -1.167  0.00  0.00    +0.036 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.737  -1.892  -0.747  0.00  0.00    +0.061 C 
ATOM     31  C   LIG    1       -6.075  -1.656  -0.038  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -4.937  -2.836  -1.935  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -3.852  -2.517   0.182  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -4.248  -3.360   0.461  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 9