REMARK  Name = BDB018661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.786   0.357   0.575  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.047   0.532  -0.607  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.343   0.654  -0.564  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -2.059   0.839  -1.751  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -1.564   1.046  -2.610  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.428   0.866  -1.828  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -4.179   0.347  -0.611  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -5.661   0.730  -0.663  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -6.354  -0.323   0.136  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -5.482  -1.525   0.195  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -3.513   0.862   0.675  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -4.267  -1.186  -0.660  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -3.979   1.204  -2.873  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.026   0.625   0.655  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -1.302   0.466   1.838  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.088   0.324   1.794  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        5.064  -0.053   0.467  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.277  -1.022   1.097  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.885  -0.889   1.127  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.250   0.216   0.538  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        3.055   1.190  -0.078  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        4.449   1.062  -0.112  0.00  0.00    +0.013 A 
BRANCH  17  26
ATOM     23  C   LIG    1        8.646   0.135  -0.735  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1        7.230   0.355  -0.580  0.00  0.00    -0.314 N 
ATOM     25  H   LIG    1        6.711   0.656  -1.393  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        6.543  -0.234   0.463  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        7.083  -0.903   1.336  0.00  0.00    -0.270 OA
ENDBRANCH  17  26
ENDBRANCH   1  20
BRANCH   9  28
ATOM     28  C   LIG    1       -7.671  -0.337   0.377  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -8.808  -0.352   0.587  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 3