REMARK  Name = BDB020977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.960   4.161   2.749  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.216   3.003   2.315  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.624   2.589   3.019  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.828   2.081   1.501  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.030   0.996   1.150  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.568   1.119   1.095  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -1.912  -0.188   0.828  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.618  -1.323   0.513  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.735  -2.334   0.260  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.498  -1.906   0.382  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.062  -1.376   0.464  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.589  -0.583   0.749  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.631   0.018   0.239  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -5.988   2.211   1.122  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.584   0.249   0.938  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        1.607   0.199  -0.024  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        2.756   1.004   0.124  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        3.960   1.250  -0.595  0.00  0.00    +0.103 A 
ATOM     19  N   LIG    1        4.764   2.108   0.048  0.00  0.00    -0.170 NA
ATOM     20  N   LIG    1        4.072   2.436   1.150  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1        4.646   3.366   2.095  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1        2.857   1.809   1.260  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        1.861   1.861   2.246  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        0.725   1.065   2.063  0.00  0.00    +0.012 A 
BRANCH  18  25
ATOM     25  C   LIG    1        4.353   0.669  -1.876  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        5.625   0.566  -2.395  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        5.489  -0.025  -3.614  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        6.544  -0.351  -4.543  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        4.212  -0.304  -3.937  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        3.522   0.130  -2.876  0.00  0.00    +0.144 A 
ENDBRANCH  18  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -2.115  -3.794  -0.126  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -2.408  -4.005  -1.633  0.00  0.00    +0.011 C 
ATOM     33  C   LIG    1       -1.716  -5.377  -1.497  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -0.932  -4.778  -0.310  0.00  0.00    +0.011 C 
ENDBRANCH   9  31
TORSDOF 3