REMARK  Name = BDB045000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.624  -0.798  -0.079  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1        1.799  -0.027  -0.072  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        3.058  -0.612  -0.309  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        3.116  -1.994  -0.554  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        1.951  -2.767  -0.563  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.708  -2.173  -0.326  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.738   0.304   0.475  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1       -2.006   1.453   0.595  0.00  0.00    -0.129 NA
ATOM      9  N   LIG    1       -0.729   1.155   0.405  0.00  0.00    -0.060 NA
ATOM     10  N   LIG    1       -0.628  -0.173   0.165  0.00  0.00    -0.219 N 
ATOM     11  C   LIG    1       -1.883  -0.740   0.202  0.00  0.00    +0.144 A 
BRANCH   7  14
ATOM     12  C   LIG    1       -6.280   1.413   1.049  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -4.892   1.431   0.902  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -4.184   0.252   0.622  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -4.899  -0.947   0.491  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -6.289  -0.976   0.636  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -6.973   0.206   0.915  0.00  0.00    +0.091 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -6.421   3.751   1.469  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -7.073   2.495   1.322  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
BRANCH  16  20
ATOM     20  O   LIG    1       -6.851  -2.215   0.482  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -8.264  -2.299   0.620  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  22
ATOM     22  C   LIG    1        4.255   0.301  -0.280  0.00  0.00    +0.252 C 
ATOM     23  N   LIG    1        5.480  -0.292  -0.515  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        5.452  -1.294  -0.685  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        4.076   1.493  -0.055  0.00  0.00    -0.270 OA
BRANCH  23  26
ATOM     26  C   LIG    1        6.752   0.314  -0.547  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        6.978   1.675  -0.336  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        8.278   2.183  -0.389  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1        8.552   3.864  -0.127  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        9.361   1.347  -0.650  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        9.145  -0.011  -0.862  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        7.846  -0.524  -0.810  0.00  0.00    +0.023 A 
ENDBRANCH  23  26
ENDBRANCH   3  22
BRANCH   4  33
ATOM     33  O   LIG    1        4.314  -2.619  -0.792  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1        4.151  -3.569  -0.939  0.00  0.00    +0.292 HD
ENDBRANCH   4  33
TORSDOF 7