REMARK  Name = BDB013218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.836  -0.220  -0.344  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.184  -0.766   0.798  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.819  -0.899   0.735  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.452  -1.497   1.904  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.508  -1.669   2.666  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.061  -0.503  -0.370  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.658  -0.028  -1.430  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.604  -1.206   1.968  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.035   0.091  -1.389  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        7.086   0.305  -0.678  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.562  -0.886  -0.183  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.179  -1.052  -0.076  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.301  -0.032  -0.469  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.845   1.169  -0.954  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        6.229   1.334  -1.062  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1       -1.311  -0.628  -0.364  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.630  -0.522  -1.328  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.096   0.288   0.460  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.564   0.043   0.216  0.00  0.00    -0.020 A 
ATOM     20  C   LIG    1       -4.373   0.889  -0.580  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -5.716   0.570  -0.753  0.00  0.00    +0.135 A 
ATOM     22  O   LIG    1       -6.327   1.496  -1.542  0.00  0.00    -0.463 OA
ATOM     23  C   LIG    1       -5.385   2.411  -1.884  0.00  0.00    +0.196 A 
ATOM     24  C   LIG    1       -6.339  -0.543  -0.197  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -5.537  -1.382   0.578  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.172   2.087  -1.324  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -4.183  -1.099   0.777  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4