REMARK  Name = BDB051017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.111   0.859   0.205  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        6.339  -0.509   0.017  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        5.253  -1.364  -0.080  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1        5.270  -2.842  -0.320  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1        3.836  -3.238   0.068  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1        2.961  -2.002  -0.188  0.00  0.00    +0.138 C 
ATOM      7  C   LIG    1        1.720  -1.944   0.706  0.00  0.00    +0.251 C 
ATOM      8  O   LIG    1        1.697  -1.992   1.929  0.00  0.00    -0.272 OA
ATOM      9  N   LIG    1        0.630  -1.813  -0.112  0.00  0.00    -0.215 N 
ATOM     10  C   LIG    1        1.008  -1.755  -1.418  0.00  0.00    +0.310 C 
ATOM     11  O   LIG    1        0.295  -1.522  -2.380  0.00  0.00    -0.252 OA
ATOM     12  N   LIG    1        2.363  -1.987  -1.498  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1        2.856  -1.747  -2.347  0.00  0.00    +0.152 HD
ATOM     14  C   LIG    1        3.943  -0.879  -0.007  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1        3.703   0.476   0.166  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.795   1.344   0.279  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        7.077   3.008   0.518  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.249   1.615   0.294  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
BRANCH   9  19
ATOM     19  C   LIG    1       -0.713  -1.546   0.347  0.00  0.00    +0.213 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.920  -0.026   0.462  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1       -2.230   0.441   0.617  0.00  0.00    -0.293 N 
ATOM     22  O   LIG    1        0.043   0.747   0.436  0.00  0.00    -0.274 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.420   1.897   0.805  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -2.337   2.249   2.293  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.650   2.395   0.081  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.231   3.769   0.322  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.009   2.547   0.724  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
BRANCH  21  28
ATOM     28  C   LIG    1       -3.372  -0.452   0.847  0.00  0.00    +0.143 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.180  -0.804  -0.384  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -5.496  -1.267  -0.213  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -6.275  -1.637  -1.311  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.747  -1.559  -2.597  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.442  -1.113  -2.785  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.662  -0.741  -1.687  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 7