REMARK  Name = BDB013027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.993  -0.039   0.097  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.154   1.090   0.359  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.796   0.883   0.376  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.242   2.083   0.714  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.184   2.989   0.834  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.204  -0.355   0.123  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.958  -1.395  -0.097  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.391   2.364   0.611  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.328  -1.204  -0.104  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.843  -1.089  -0.279  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.577  -0.419  -0.112  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        6.557   0.902   0.124  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        5.254   1.184   0.228  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1        4.433   0.043   0.055  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        5.333  -0.981  -0.164  0.00  0.00    +0.116 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1       -1.166  -0.497   0.124  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.370  -1.497   0.159  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.939   0.068  -0.979  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.372  -0.373  -0.863  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -4.233   0.152   0.096  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.978   1.142   1.171  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -5.419   1.421   1.599  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.250   0.302   1.217  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.541  -0.299   0.210  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.052  -1.283  -0.609  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.212  -1.823  -1.582  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.886  -1.374  -1.708  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4