REMARK  Name = BDB003852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.626   1.645   0.459  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1       -1.599   2.414  -0.312  0.00  0.00    +0.106 C 
ATOM      3  C   LIG    1       -3.037   1.931  -0.086  0.00  0.00    +0.020 C 
ATOM      4  C   LIG    1       -3.182   0.418  -0.312  0.00  0.00    +0.017 C 
ATOM      5  C   LIG    1       -3.749  -0.369   0.893  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -3.611  -1.886   0.618  0.00  0.00    +0.225 C 
ATOM      7  O   LIG    1       -2.955  -2.643   1.336  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -4.248  -2.440  -0.460  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -4.023  -3.429  -0.384  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -5.610  -2.362  -0.573  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.327  -3.337  -0.366  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.156  -1.041  -1.041  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -6.207   0.050   0.013  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -5.242  -0.061   1.191  0.00  0.00    +0.016 C 
ATOM     15  C   LIG    1       -2.968  -0.055   2.221  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -1.431  -0.001   2.148  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -0.864   1.403   1.886  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        3.252   0.773  -0.855  0.00  0.00    +0.077 A 
ATOM     19  C   LIG    1        2.683   0.242   0.286  0.00  0.00    +0.127 A 
ATOM     20  N   LIG    1        1.429   0.537   0.715  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1        0.660   1.394   0.001  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        1.180   1.969  -1.160  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        2.476   1.662  -1.590  0.00  0.00    +0.020 A 
BRANCH  18  24
ATOM     24  C   LIG    1        4.620   0.443  -1.307  0.00  0.00    +0.341 C 
ATOM     25  O   LIG    1        5.117   0.917  -2.315  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.197  -0.433  -0.453  0.00  0.00    -0.455 OA
BRANCH  26  28
ATOM     27  C   LIG    1        6.641  -1.704  -1.992  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.548  -0.915  -0.681  0.00  0.00    +0.106 C 
ATOM     29  C   LIG    1        7.563   0.232  -0.629  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.824  -1.870   0.489  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 4