REMARK  Name = BDB017036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.348  -0.788  -0.906  0.00  0.00    -0.333 N 
ATOM      2  C   LIG    1        0.844  -0.407  -0.348  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.787  -0.570  -1.347  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.173  -1.042  -2.491  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.100  -1.163  -2.195  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.219  -0.291  -1.246  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.911  -0.275  -2.413  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.235  -0.023  -2.370  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.928   0.223  -1.203  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.210   0.205  -0.010  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.837  -0.055  -0.025  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.856   0.455   1.298  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.293   0.466   2.376  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.176   0.680   1.192  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.468   0.825   2.117  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  17
ATOM     16  C   LIG    1       -1.675  -1.731   0.943  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -1.661  -0.787  -0.263  0.00  0.00    +0.089 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.087   0.650   0.093  0.00  0.00    +0.060 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.544   0.766   0.476  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1       -4.540   0.734  -0.510  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.887   0.827  -0.157  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.251   0.952   1.183  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.268   0.988   2.170  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.920   0.896   1.819  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6