REMARK  Name = BDB046302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.645  -0.960  -0.159  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        1.530  -0.804   0.911  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        2.859  -0.465   0.660  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        3.760  -0.304   1.720  0.00  0.00    -0.320 N 
ATOM      5  H   LIG    1        3.463  -0.430   2.679  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.086   0.028   1.548  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.572   0.225   0.154  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        4.682   0.068  -0.925  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        5.181   0.263  -2.224  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        6.521   0.601  -2.438  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.387   0.752  -1.357  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.915   0.564  -0.059  0.00  0.00    +0.014 A 
ATOM     13  O   LIG    1        5.831   0.155   2.514  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        3.284  -0.288  -0.657  0.00  0.00    +0.095 A 
ATOM     15  N   LIG    1        2.447  -0.434  -1.711  0.00  0.00    -0.251 NA
ATOM     16  C   LIG    1        1.155  -0.763  -1.442  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  19
ATOM     17  O   LIG    1       -1.629  -1.373  -1.984  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1       -1.726  -1.484  -0.765  0.00  0.00    +0.231 C 
ATOM     19  N   LIG    1       -0.690  -1.304   0.142  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1       -0.924  -1.395   1.122  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -3.055  -1.855  -0.089  0.00  0.00    +0.180 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.975  -0.706  -0.032  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1       -5.350  -1.159   0.238  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -6.260  -0.080   0.841  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -5.875   1.307   0.353  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.409   1.610   0.669  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -3.557   0.352   0.884  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 3