REMARK  Name = BDB012833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.005  -1.418  -0.097  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.749  -0.811   1.092  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        2.091  -0.539   0.590  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        3.067  -0.062   1.447  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.785   0.203   2.617  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.141  -0.678  -0.857  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.681  -0.741  -1.292  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.305  -3.645  -0.112  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.546  -2.352  -0.062  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.196  -2.427  -0.100  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.491  -1.274  -0.051  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -2.118  -0.030   0.028  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -3.518   0.053   0.066  0.00  0.00    -0.041 A 
ATOM     14  C   LIG    1       -4.232  -1.144   0.020  0.00  0.00    +0.027 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.178   1.422   0.157  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -5.011   1.788  -1.086  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -6.461   1.310  -1.051  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -7.154   1.686   0.252  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -6.392   1.176   1.468  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -4.941   1.652   1.474  0.00  0.00    +0.008 C 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        4.412   0.144   0.968  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        5.295   0.894   1.703  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        5.107   1.344   2.594  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        6.510   1.026   1.149  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        6.438   0.288   0.037  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        5.152  -0.289  -0.114  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        7.621   0.138  -0.876  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        8.798  -0.545  -0.175  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        8.053   1.479  -1.473  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4