REMARK  Name = BDB001856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.660  -0.093  -0.398  0.00  0.00    +0.103 A 
ATOM      2  C   LIG    1       -0.091   1.061  -0.041  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -1.390   0.898  -0.503  0.00  0.00    +0.162 A 
ATOM      4  N   LIG    1       -2.398   1.780  -0.343  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -2.022   2.882   0.327  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -0.698   3.079   0.810  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1       -0.403   4.252   1.493  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -1.369   5.234   1.714  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.660   5.042   1.242  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.972   3.868   0.554  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -1.451  -0.313  -1.142  0.00  0.00    -0.312 N 
ATOM     12  N   LIG    1        0.286   2.179   0.638  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1       -0.219  -0.929  -1.078  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   1  16
ATOM     14  N   LIG    1        2.740   0.637   0.516  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1        2.204   1.471   0.744  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        2.060  -0.387  -0.109  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1        2.580  -1.463  -0.390  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1        4.126   0.577   0.954  0.00  0.00    +0.070 C 
ATOM     19  C   LIG    1        5.086   0.393  -0.222  0.00  0.00    +0.028 C 
BRANCH  18  21
ATOM     20  C   LIG    1        3.534  -0.240   3.294  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        4.369  -0.481   2.043  0.00  0.00    +0.018 C 
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH  13  22
ATOM     22  N   LIG    1       -0.012  -2.148  -1.626  0.00  0.00    -0.344 N 
ATOM     23  H   LIG    1        0.867  -2.621  -1.395  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1       -0.782  -2.818  -1.731  0.00  0.00    +0.144 HD
ENDBRANCH  13  22
BRANCH  11  25
ATOM     25  C   LIG    1       -2.637  -0.834  -1.801  0.00  0.00    +0.127 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.421  -1.806  -0.914  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.678  -3.135  -1.614  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -2.427  -3.774  -1.874  0.00  0.00    -0.383 OA
ATOM     29  C   LIG    1       -2.607  -5.033  -2.513  0.00  0.00    +0.193 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  11  25
TORSDOF 8