REMARK  Name = BDB014868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.587   0.755  -0.606  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -2.011  -0.488  -0.264  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -3.401  -0.990  -0.140  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -3.367  -2.532  -0.140  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1       -2.295  -3.089   0.713  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -0.911  -2.649   0.442  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.573  -4.259   1.411  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -3.692  -4.773   1.437  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -1.435  -4.894   2.171  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -0.879  -1.227   0.009  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.209  -0.342  -0.222  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1       -0.241   0.861  -0.599  0.00  0.00    -0.155 NA
ENDROOT
BRANCH  11  13
ATOM     13  N   LIG    1        1.499  -0.717  -0.040  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.673  -1.650   0.311  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.716  -0.036  -0.279  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.803   1.192  -0.947  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.033   1.846  -1.129  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        4.093   3.141  -1.884  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.202   1.250  -0.649  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        5.138   0.034   0.024  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.906  -0.599   0.210  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH  11  13
BRANCH   1  22
ATOM     22  C   LIG    1       -2.376   1.925  -0.932  0.00  0.00    +0.239 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -1.096   4.199   1.821  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1       -1.207   3.368   0.651  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1       -0.396   2.803   0.388  0.00  0.00    +0.148 HD
ATOM     26  C   LIG    1       -2.434   2.892   0.230  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -3.502   3.256   0.716  0.00  0.00    -0.274 OA
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 4