REMARK  Name = BDB018523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.019  -2.599   0.143  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -1.381  -2.140   0.466  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -2.353  -3.071   0.548  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -2.120  -4.422   0.360  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -3.240  -5.343   0.484  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -0.857  -4.923   0.081  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -0.580  -6.107  -0.076  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.223  -3.911  -0.037  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.257  -0.029  -0.423  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        2.281  -0.018  -1.340  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        1.238  -0.852  -1.135  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        1.135  -1.707  -0.057  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        2.201  -1.646   0.815  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1        3.262  -0.828   0.653  0.00  0.00    -0.222 NA
BRANCH   9  15
ATOM     15  N   LIG    1        4.300   0.854  -0.655  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        4.225   1.111  -1.633  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        5.611   0.373  -0.226  0.00  0.00    +0.132 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.707   1.394  -0.577  0.00  0.00    +0.178 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.786   3.292   0.540  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        6.896   2.413   0.410  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  21
ATOM     21  C   LIG    1       -1.686  -0.756   0.691  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -2.720  -0.052   0.114  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1       -2.684   1.232   0.617  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1       -1.614   1.386   1.445  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1       -1.041   0.185   1.507  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.552   2.342   0.369  0.00  0.00    +0.083 A 
ATOM     27  C   LIG    1       -4.834   2.236  -0.201  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1       -5.588   3.405  -0.432  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -5.092   4.662  -0.089  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.840   4.769   0.500  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.079   3.622   0.732  0.00  0.00    +0.029 A 
BRANCH  27  32
ATOM     32  C   LIG    1       -5.491   0.998  -0.505  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -6.036   0.003  -0.752  0.00  0.00    -0.191 NA
ENDBRANCH  27  32
ENDBRANCH  23  26
ENDBRANCH   2  21
TORSDOF 8