REMARK  Name = BDB018153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.586  -0.181   1.700  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.859  -0.718   0.295  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.411  -1.322  -0.317  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1        1.067  -0.127  -1.035  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.089   0.939  -1.096  0.00  0.00    -0.347 OA
ATOM      6  C   LIG    1       -1.188   0.361  -0.747  0.00  0.00    +0.159 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.284   0.342  -0.388  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1        3.431  -0.413  -0.324  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1        4.397   0.326   0.344  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        5.647  -0.284   0.516  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1        5.837  -1.526   0.031  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1        4.809  -2.133  -0.593  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1        3.800   1.571   0.684  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1        3.570  -1.657  -0.818  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        2.503   1.558   0.212  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1        6.719   0.325   1.151  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        7.586  -0.150   0.928  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        6.732   1.334   1.095  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1        0.018  -2.335  -1.272  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        0.846  -2.757  -1.577  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1       -1.886  -1.704   0.395  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -1.723  -2.330  -0.342  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1       -2.152   1.480  -0.335  0.00  0.00    +0.069 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.597   1.052  -0.249  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -4.322   0.766  -1.417  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1       -5.659   0.358  -1.347  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -6.475   0.024  -2.834  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -6.286   0.236  -0.104  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1       -7.933  -0.260   0.061  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -5.573   0.525   1.062  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -4.238   0.932   0.989  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6