REMARK  Name = BDB062356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.395  -1.667  -1.569  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1        0.095  -2.036  -1.214  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -0.615  -1.608  -0.010  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -1.702  -0.530  -0.252  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -2.898  -1.146  -1.001  0.00  0.00    +0.165 C 
ATOM      6  O   LIG    1       -2.794  -1.192  -2.421  0.00  0.00    -0.378 OA
ATOM      7  C   LIG    1       -1.532  -1.502  -3.005  0.00  0.00    +0.178 C 
ATOM      8  C   LIG    1       -0.747  -2.593  -2.280  0.00  0.00    +0.136 C 
ATOM      9  O   LIG    1        1.712  -1.654  -2.766  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        2.463  -1.298  -0.475  0.00  0.00    +0.072 C 
ATOM     11  C   LIG    1        2.557  -2.433   0.588  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1        3.051  -3.763   0.016  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        4.435  -3.611  -0.597  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1        4.451  -2.520  -1.656  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        3.881  -1.194  -1.141  0.00  0.00    +0.021 C 
BRANCH  10  19
ATOM     16  C   LIG    1        1.647   2.730   1.053  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        1.865   1.684   1.945  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.129   0.391   1.471  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.166   0.111   0.095  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1        1.954   1.185  -0.790  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        1.708   2.476  -0.315  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        1.058   4.289   2.744  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        1.379   4.028   1.384  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  10  19
ENDBRANCH   1  10
BRANCH   4  24
ATOM     24  C   LIG    1       -2.115   0.021   1.136  0.00  0.00    +0.043 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.228   1.046   1.140  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1       -3.126   2.331   0.559  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.208   3.205   0.617  0.00  0.00    +0.066 A 
ATOM     28  N   LIG    1       -3.798   4.339  -0.033  0.00  0.00    -0.277 N 
ATOM     29  H   LIG    1       -4.330   5.187  -0.191  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1       -2.540   4.283  -0.498  0.00  0.00    -0.181 NA
ATOM     31  C   LIG    1       -5.420   2.888   1.235  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -5.519   1.626   1.818  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -2.136   3.062  -0.140  0.00  0.00    +0.143 A 
ATOM     34  C   LIG    1       -4.451   0.727   1.775  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 5