REMARK  Name = BDB012831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.052  -1.899   0.381  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.545  -0.893   1.422  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.850  -0.463   0.931  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.628   0.390   1.694  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.191   0.843   2.752  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -2.063  -0.910  -0.436  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.693  -1.381  -0.910  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        3.686  -1.230   0.021  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        2.304  -1.011   0.061  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        1.440  -2.073   0.323  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1        1.897  -3.329   0.536  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1        3.231  -3.545   0.499  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        3.708  -4.946   0.739  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        4.147  -2.530   0.249  0.00  0.00    +0.031 A 
BRANCH   8  18
ATOM     15  C   LIG    1        6.421   1.993  -0.776  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.385   1.714  -1.665  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.496   0.663  -1.403  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.622  -0.128  -0.250  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        5.670   0.165   0.634  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        6.557   1.214   0.373  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        7.251   3.812  -2.062  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        7.354   2.983  -0.911  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   8  18
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1       -3.945   0.766   1.240  0.00  0.00    +0.121 A 
ATOM     24  N   LIG    1       -4.589   1.834   1.812  0.00  0.00    -0.272 N 
ATOM     25  H   LIG    1       -4.233   2.423   2.559  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1       -5.801   2.095   1.298  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1       -5.981   1.127   0.394  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1       -4.855   0.268   0.329  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -7.252   1.031  -0.401  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -7.465   2.263  -1.283  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1       -8.468   0.793   0.496  0.00  0.00    +0.014 C 
ENDBRANCH  27  29
ENDBRANCH   4  23
TORSDOF 5