REMARK  Name = BDB018996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.821   1.754  -0.962  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.492   1.231  -0.917  0.00  0.00    +0.128 A 
ATOM      3  O   LIG    1        1.470   2.182  -1.044  0.00  0.00    -0.490 OA
ATOM      4  C   LIG    1        2.774   1.757  -1.420  0.00  0.00    +0.248 C 
ATOM      5  C   LIG    1        3.516   1.153  -0.233  0.00  0.00    +0.150 C 
ATOM      6  N   LIG    1        2.992  -0.131   0.236  0.00  0.00    -0.278 N 
ATOM      7  C   LIG    1        2.045  -0.824  -0.628  0.00  0.00    +0.148 C 
ATOM      8  C   LIG    1        3.574  -0.849   1.272  0.00  0.00    +0.302 C 
ATOM      9  N   LIG    1        4.460  -0.129   2.040  0.00  0.00    -0.302 N 
ATOM     10  H   LIG    1        4.173   0.824   2.204  0.00  0.00    +0.150 HD
ATOM     11  C   LIG    1        5.107  -0.772   3.158  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1        3.346  -2.035   1.489  0.00  0.00    -0.253 OA
ATOM     13  C   LIG    1        0.695  -0.145  -0.714  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.440  -0.980  -0.596  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -1.747  -0.479  -0.641  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -1.922   0.894  -0.822  0.00  0.00    +0.015 A 
ENDROOT
BRANCH  15  17
ATOM     17  C   LIG    1       -2.904  -1.374  -0.502  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1       -3.312  -1.894   0.747  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -2.579  -1.558   2.020  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.417  -2.761   0.808  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.123  -3.101  -0.345  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.734  -2.583  -1.575  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.634  -1.728  -1.652  0.00  0.00    +0.009 A 
ENDBRANCH  15  17
BRANCH   1  25
ATOM     24  C   LIG    1       -1.018   3.979   0.193  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -1.081   3.236  -1.133  0.00  0.00    +0.035 C 
ENDBRANCH   1  25
TORSDOF 2