REMARK  Name = BDB063842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.061  -1.974  -1.835  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.817  -1.520  -1.636  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -0.374  -2.245  -2.156  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -0.424  -3.279  -2.792  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.397  -1.454  -1.746  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -2.357  -1.636  -1.968  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.890  -0.388  -1.089  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.406  -0.374  -0.989  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        7.247   1.470   1.942  0.00  0.00    +0.172 C 
ATOM     10  N   LIG    1        6.370   0.760   1.042  0.00  0.00    -0.273 N 
ATOM     11  N   LIG    1        6.864   0.303  -0.129  0.00  0.00    -0.171 NA
ATOM     12  C   LIG    1        5.821  -0.297  -0.728  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        4.664  -0.195   0.122  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.389  -0.689  -0.129  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        3.314  -1.337  -1.386  0.00  0.00    -0.022 A 
ATOM     16  C   LIG    1        4.457  -1.467  -2.254  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        5.743  -0.952  -1.965  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        5.048   0.483   1.245  0.00  0.00    +0.116 A 
ENDBRANCH   1  15
BRANCH   7  19
ATOM     19  N   LIG    1       -1.678   0.592  -0.577  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.141   1.252  -0.021  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.072   0.446  -0.175  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.683   1.849  -0.047  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.216   1.898   0.034  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.931   0.590   0.363  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.615   0.003   1.734  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.156   0.045   2.172  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.141  -0.395   1.118  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3