REMARK  Name = BDB027504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.968  -1.464   0.905  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.868  -1.193   0.094  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.248  -2.145   0.121  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.568  -1.515  -0.365  0.00  0.00    +0.089 C 
ATOM      5  C   LIG    1       -1.413  -0.954  -1.794  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        0.031  -0.604  -2.158  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.845  -0.164  -0.948  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        2.082  -2.489   1.572  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        5.169   1.375   1.164  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        5.415   0.052   0.787  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.367  -0.871   0.706  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.060  -0.468   0.982  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        2.802   0.846   1.379  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.854   1.763   1.463  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.520   2.213   1.054  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        6.169   2.364   1.268  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        5.859   3.274   1.578  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        8.125   1.184   0.780  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        7.889   4.697   0.941  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        8.309   3.462   1.247  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -2.646  -2.511  -0.301  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -2.541  -3.233  -1.014  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.940  -2.032  -0.486  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1       -4.622  -2.603  -1.494  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -5.888  -2.175  -1.712  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1       -6.533  -1.191  -0.964  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.807  -0.616   0.094  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -6.418   0.373   0.884  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -7.727   0.786   0.622  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.441   0.216  -0.429  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.850  -0.769  -1.220  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -4.497  -1.053   0.329  0.00  0.00    +0.052 A 
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5