REMARK  Name = BDB003191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.304   0.819   2.053  0.00  0.00    +0.112 A 
ATOM      2  N   LIG    1        0.287   1.275   0.892  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1        0.831   2.514   1.147  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        0.523   2.753   2.483  0.00  0.00    +0.089 A 
ATOM      5  C   LIG    1        0.935   3.952   3.083  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.649   4.880   2.317  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.949   4.619   0.980  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.546   3.429   0.363  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.177   1.704   3.022  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -0.995  -0.496   2.189  0.00  0.00    +0.093 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -2.486  -0.369   1.882  0.00  0.00    +0.112 C 
BRANCH  11  14
ATOM     12  C   LIG    1       -3.811  -3.821   1.034  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -3.017  -2.554   0.868  0.00  0.00    +0.210 C 
ATOM     14  N   LIG    1       -3.167  -1.651   1.894  0.00  0.00    -0.315 N 
ATOM     15  H   LIG    1       -3.745  -1.883   2.692  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -2.306  -2.350  -0.112  0.00  0.00    -0.276 OA
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1        0.327   0.589  -0.388  0.00  0.00    +0.128 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.556  -0.309  -0.519  0.00  0.00    +0.057 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.634  -0.952  -1.881  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        2.572  -0.511  -2.824  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.632  -1.099  -4.089  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        1.756  -2.130  -4.423  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        0.819  -2.574  -3.493  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        0.757  -1.989  -2.227  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 6