REMARK  Name = BDB031505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.324  -1.625  -0.453  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.033  -2.326  -0.443  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        1.025  -1.209  -0.473  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1        0.243   0.061  -0.126  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1       -1.101  -0.441   0.379  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -2.412  -2.478   0.030  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1       -9.684   0.842   0.077  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -8.336   0.216   0.244  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -7.907  -0.078   1.649  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -8.622   0.181   2.611  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -6.673  -0.653   1.817  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -6.399  -0.845   2.771  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -5.823  -0.966   0.750  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -6.220  -0.693  -0.558  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -5.465  -0.961  -1.643  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -4.256  -1.524  -1.405  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -3.767  -1.840  -0.135  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -4.580  -1.549   0.966  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -7.525  -0.082  -0.786  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   3  20
ATOM     20  O   LIG    1        2.011  -1.495   0.523  0.00  0.00    -0.486 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.228  -0.888   0.421  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.599   0.111  -0.472  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        4.831   0.679  -0.515  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        5.740   0.222   0.392  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        5.464  -0.766   1.327  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        4.186  -1.322   1.336  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.100   0.848   0.345  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1        7.233   1.818  -0.629  0.00  0.00    -0.307 N 
ATOM     29  H   LIG    1        6.410   1.995  -1.200  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1        7.990   0.504   1.114  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1        8.433   2.552  -0.845  0.00  0.00    +0.073 C 
ATOM     32  C   LIG    1        8.463   3.711  -1.803  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1        8.570   3.956  -0.327  0.00  0.00    +0.024 C 
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6