REMARK  Name = BDB023905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.094   0.474   0.773  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        3.735  -0.766   0.931  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.124  -1.897   0.370  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.917  -1.837  -0.333  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        1.617  -3.171  -0.741  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.624  -3.993  -0.291  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1        1.284  -0.580  -0.476  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1        3.530  -3.214   0.376  0.00  0.00    -0.361 N 
ATOM      9  H   LIG    1        4.376  -3.552   0.813  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1        1.883   0.563   0.079  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        0.013  -0.490  -1.177  0.00  0.00    +0.098 A 
ATOM     12  C   LIG    1       -1.222   0.003  -0.676  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -1.588   0.529   0.666  0.00  0.00    +0.146 C 
ATOM     14  N   LIG    1       -3.048   0.741   0.754  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -3.739   1.220  -0.465  0.00  0.00    +0.114 C 
ATOM     16  C   LIG    1       -3.526   0.294  -1.683  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -3.564   0.885   2.035  0.00  0.00    +0.213 C 
ATOM     18  O   LIG    1       -2.874   0.758   3.047  0.00  0.00    -0.276 OA
ATOM     19  C   LIG    1       -5.034   1.196   2.160  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -2.099  -0.098  -1.734  0.00  0.00    +0.046 A 
ATOM     21  N   LIG    1       -1.403  -0.640  -2.766  0.00  0.00    -0.270 N 
ATOM     22  C   LIG    1       -1.876  -0.968  -4.089  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -0.113  -0.872  -2.460  0.00  0.00    -0.171 NA
ENDBRANCH   7  11
BRANCH   1  24
ATOM     24  C   LIG    1        3.666   1.732   1.330  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        3.127   2.823   1.223  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1        5.449   2.653   2.523  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1        4.843   1.489   1.959  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 3