REMARK  Name = BDB054461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.378  -0.328   0.291  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.054  -0.094   0.377  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.608  -1.040   1.064  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -0.062  -2.165   1.648  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.152  -2.834   2.232  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -2.311  -2.196   2.040  0.00  0.00    -0.177 NA
ATOM      7  C   LIG    1        1.305  -2.324   1.513  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.954  -1.097   1.328  0.00  0.00    -0.243 N 
ATOM      9  N   LIG    1        2.011  -1.392   0.831  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.955  -0.130   0.893  0.00  0.00    +0.113 C 
ATOM     11  C   LIG    1       -3.899  -0.725  -0.180  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -5.319  -0.676   0.421  0.00  0.00    -0.006 C 
ATOM     13  C   LIG    1       -6.040   0.488  -0.277  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -4.982   1.218  -1.093  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -5.120  -0.481   1.920  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -3.986   0.126  -1.447  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -3.856   0.357   2.036  0.00  0.00    +0.027 C 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  N   LIG    1        2.089   0.644  -0.421  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        1.421   1.340  -0.724  0.00  0.00    +0.155 HD
BRANCH  18  24
ATOM     20  C   LIG    1        6.107   2.441  -2.425  0.00  0.00    +0.149 C 
ATOM     21  N   LIG    1        5.256   1.604  -1.605  0.00  0.00    -0.344 N 
ATOM     22  C   LIG    1        5.635   0.451  -0.945  0.00  0.00    +0.106 A 
ATOM     23  C   LIG    1        4.466  -0.106  -0.440  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        3.393   0.759  -0.734  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        3.908   1.813  -1.449  0.00  0.00    +0.109 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.962  -0.106  -0.836  0.00  0.00    +0.258 C 
ATOM     27  O   LIG    1        7.225  -1.303  -0.846  0.00  0.00    -0.269 OA
ATOM     28  N   LIG    1        7.964   0.802  -0.633  0.00  0.00    -0.324 N 
ATOM     29  H   LIG    1        8.840   0.379  -0.354  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        7.729   1.680  -0.194  0.00  0.00    +0.145 HD
ENDBRANCH  22  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 4