REMARK  Name = BDB018475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.943  -1.581   0.121  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.495  -1.828   0.299  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.062  -3.105   0.294  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.908  -4.186   0.130  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.340  -5.525   0.153  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.275  -4.032  -0.046  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.076  -4.949  -0.200  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.768  -2.635  -0.047  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -4.229   3.672  -0.053  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1       -3.676   2.328   0.002  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -3.980   1.510   1.085  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -4.710   1.818   2.023  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.354   0.160   1.077  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1       -2.551  -0.240   0.073  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -2.307   0.687  -1.022  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -2.853   1.909  -1.025  0.00  0.00    +0.089 A 
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1        0.438  -0.751   0.473  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.611  -0.568  -0.228  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.195   0.595   0.241  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.447   1.140   1.221  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.395   0.334   1.360  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.429   1.188  -0.172  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1        3.831   2.480   0.252  0.00  0.00    +0.095 A 
ATOM     24  C   LIG    1        5.079   2.975  -0.181  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1        5.670   4.540   0.278  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.907   2.221  -1.016  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        5.506   0.961  -1.439  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.278   0.447  -1.023  0.00  0.00    +0.029 A 
BRANCH  23  29
ATOM     29  C   LIG    1        3.014   3.348   1.062  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        2.404   4.113   1.688  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4