REMARK  Name = BDB046014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.004  -0.681  -0.734  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.715   0.462  -0.419  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.842   1.446  -1.123  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.266   0.282   0.939  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.779  -0.958   1.397  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -1.088  -1.438   2.660  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.899  -0.655   3.476  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.384   0.583   3.020  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.079   1.081   1.734  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        0.079  -1.612   0.366  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.672   2.404   1.389  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -3.252   3.069   2.243  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.589   2.882   0.120  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -1.990   2.477  -0.598  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.929   3.818  -0.049  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1        0.798  -0.833  -1.935  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.156  -0.137  -1.836  0.00  0.00    +0.178 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.190   0.196  -2.979  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1        2.940  -0.483  -2.978  0.00  0.00    -0.381 OA
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4