REMARK  Name = BDB023692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.395   0.599   0.305  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.501   0.451   1.347  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.716   1.273   1.426  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        2.119   1.197   2.895  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        1.681  -0.208   3.298  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.363  -0.374   2.539  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.136   1.372  -0.623  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.776   0.710   0.474  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.461   0.248  -0.776  0.00  0.00    -0.290 N 
ATOM     10  H   LIG    1        1.692   0.730  -1.242  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        3.712   0.086  -1.467  0.00  0.00    +0.199 C 
ATOM     12  C   LIG    1        3.923   1.189  -2.496  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1        3.798  -1.301  -2.083  0.00  0.00    +0.080 C 
ATOM     14  O   LIG    1        4.709   0.207  -0.431  0.00  0.00    -0.367 OA
ATOM     15  N   LIG    1        4.053   0.690   0.752  0.00  0.00    -0.070 NA
ENDBRANCH   3   8
BRANCH   5  16
ATOM     16  O   LIG    1        1.504  -0.289   4.702  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1        1.487  -1.231   4.942  0.00  0.00    +0.210 HD
ENDBRANCH   5  16
BRANCH   1  18
ATOM     18  C   LIG    1       -1.649  -0.289   0.318  0.00  0.00    +0.146 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -6.005   2.112  -0.895  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1       -4.672   1.470  -0.858  0.00  0.00    +0.081 A 
ATOM     21  N   LIG    1       -3.927   1.405  -1.966  0.00  0.00    -0.083 NA
ATOM     22  O   LIG    1       -2.757   0.768  -1.596  0.00  0.00    -0.359 OA
ATOM     23  C   LIG    1       -2.814   0.436  -0.278  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.014   0.868   0.237  0.00  0.00    +0.071 A 
ENDBRANCH  18  23
BRANCH  18  25
ATOM     25  C   LIG    1       -1.362  -1.685  -0.294  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -1.026  -1.681  -1.789  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1       -2.511  -2.662  -0.023  0.00  0.00    +0.008 C 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5