REMARK  Name = BDB014774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.794   4.461  -1.222  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.611   3.526  -0.366  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.967   2.403   0.140  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.496   2.261   0.118  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.094   0.852   0.362  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.823   0.216   0.310  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.938  -1.080   0.618  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.253  -1.287   0.824  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.979  -0.141   0.720  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.439   0.046   0.895  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.718   1.551   1.088  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.800   3.768  -0.154  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.311   0.895   0.003  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.229   1.888  -0.169  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.643   0.458  -0.176  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.035  -0.884  -0.143  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.376  -1.255  -0.312  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.362  -0.287  -0.505  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.987   1.058  -0.542  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.646   1.423  -0.376  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.754  -0.680  -0.679  0.00  0.00    +0.069 A 
ATOM     22  N   LIG    1        6.787  -0.338   0.164  0.00  0.00    -0.267 N 
ATOM     23  C   LIG    1        6.709   0.420   1.391  0.00  0.00    +0.173 C 
ATOM     24  N   LIG    1        7.988  -0.808  -0.236  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1        7.704  -1.503  -1.338  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        6.336  -1.468  -1.655  0.00  0.00    +0.049 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.724  -2.621   1.178  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.171  -3.491   0.036  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.288  -3.728  -1.167  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.582  -2.976  -1.324  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5