REMARK  Name = BDB014687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.211  -0.370  -0.060  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.135   0.631   0.069  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.856   3.516   0.780  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.423   3.064   0.671  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.191   1.767   0.231  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.775   1.397   0.047  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.621  -0.077  -0.066  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.460  -0.895  -0.123  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.806  -2.182  -0.244  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -3.149  -2.194  -0.244  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.837  -3.458  -0.339  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.683  -0.950  -0.162  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.109  -0.553  -0.146  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.205   0.953  -0.476  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -3.508   3.831   0.976  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.067  -0.973  -0.113  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.203  -0.154   0.009  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        3.510  -0.676  -0.037  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        3.699  -2.059  -0.201  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1        5.063  -2.690  -0.251  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        2.570  -2.877  -0.335  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        1.277  -2.341  -0.289  0.00  0.00    +0.023 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.624   0.244   0.077  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.846   1.069   1.159  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        5.986   1.764   0.875  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        6.633   2.748   1.708  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.519   1.457  -0.322  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.685   0.532  -0.808  0.00  0.00    +0.142 A 
ENDBRANCH  18  23
ENDBRANCH   1  16
TORSDOF 3