REMARK  Name = BDB018137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.086  -0.180  -0.957  0.00  0.00    +0.180 C 
ATOM      2  C   LIG    1        2.132   1.362  -0.990  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1        3.143   2.045  -0.081  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.680   1.717  -0.659  0.00  0.00    +0.198 C 
ATOM      5  C   LIG    1       -0.040   0.656  -1.494  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1        0.754  -0.547  -1.427  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.407   0.352  -1.098  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -1.856   0.052   0.167  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -3.226  -0.176   0.092  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -3.880  -0.507   1.287  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -3.164  -0.585   2.424  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -1.844  -0.333   2.360  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -3.607   0.006  -1.264  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -1.109  -0.004   1.284  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -2.472   0.329  -1.975  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -5.239  -0.777   1.370  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -5.640  -1.169   0.530  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -5.450  -1.262   2.235  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   5   7
BRANCH   2  19
ATOM     19  O   LIG    1        2.420   1.775  -2.344  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1        3.352   1.575  -2.535  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   4  21
ATOM     21  O   LIG    1        0.341   3.063  -0.984  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -0.603   3.184  -0.778  0.00  0.00    +0.210 HD
ENDBRANCH   4  21
BRANCH   1  23
ATOM     23  C   LIG    1        2.310  -0.823   0.420  0.00  0.00    +0.194 C 
BRANCH  23  25
ATOM     24  C   LIG    1        2.479  -2.914   1.507  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1        2.451  -2.240   0.257  0.00  0.00    -0.380 OA
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6