REMARK  Name = BDB062223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.115  -2.022   0.708  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.117  -1.499   0.739  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        1.318  -2.337   1.002  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        1.384  -3.527   1.230  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1        2.321  -1.428   0.942  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1        3.283  -1.636   1.145  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1        1.798  -0.200   0.701  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1        0.502  -0.184   0.581  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.851  -0.005   0.028  0.00  0.00    +0.161 A 
ATOM     10  C   LIG    1       -4.750  -1.084   0.915  0.00  0.00    +0.159 A 
ATOM     11  C   LIG    1       -3.530  -1.729   1.137  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -2.372  -1.295   0.479  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -2.475  -0.226  -0.419  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.700   0.418  -0.639  0.00  0.00    +0.050 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.216   1.659  -0.996  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -6.094   0.552  -0.114  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -5.874  -1.514   1.573  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -5.638  -2.249   2.159  0.00  0.00    +0.292 HD
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   7  19
ATOM     19  N   LIG    1        2.566   0.921   0.645  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        2.027   1.778   0.578  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.893   1.064   0.203  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.560   0.105  -0.569  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.896   0.285  -0.943  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.586   1.426  -0.543  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.941   2.389   0.227  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.606   2.206   0.597  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 5