REMARK  Name = BDB023710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.904   0.298   0.716  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.863  -1.068   0.562  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.221  -1.842   1.171  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1       -0.249  -3.291   1.150  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -1.210  -3.342  -0.031  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.871  -1.962   0.011  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1        0.035   0.881   1.278  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.499  -1.621   0.369  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.497  -0.808   0.839  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        2.152   0.080   1.198  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        3.448  -0.724  -0.235  0.00  0.00    +0.230 C 
ATOM     12  C   LIG    1        3.718   0.665  -0.736  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        5.086   0.825  -0.998  0.00  0.00    -0.038 A 
ATOM     14  C   LIG    1        5.589   2.013  -1.502  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.698   3.064  -1.729  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.329   2.912  -1.464  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.834  -0.441  -0.712  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1        2.830   1.705  -0.969  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        4.846  -1.180   0.206  0.00  0.00    +0.081 C 
ATOM     20  O   LIG    1        2.946  -1.584  -1.272  0.00  0.00    -0.361 OA
ATOM     21  N   LIG    1        1.698  -2.127  -0.820  0.00  0.00    -0.069 NA
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1       -2.140  -4.399   0.144  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -2.720  -4.412  -0.637  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -2.076   1.136   0.176  0.00  0.00    +0.146 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -5.881   0.418   3.524  0.00  0.00    +0.069 C 
ATOM     26  C   LIG    1       -4.975   0.460   2.356  0.00  0.00    +0.081 A 
ATOM     27  N   LIG    1       -5.325  -0.135   1.210  0.00  0.00    -0.083 NA
ATOM     28  O   LIG    1       -4.280   0.086   0.335  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1       -3.305   0.802   0.959  0.00  0.00    +0.150 A 
ATOM     30  C   LIG    1       -3.706   1.070   2.248  0.00  0.00    +0.071 A 
ENDBRANCH  24  29
BRANCH  24  31
ATOM     31  C   LIG    1       -2.260   1.139  -1.361  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -3.180   2.291  -1.801  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -0.926   1.276  -2.103  0.00  0.00    +0.008 C 
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 5