REMARK  Name = BDB018778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.129   0.559  -0.598  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        0.307  -0.247  -1.397  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -1.075  -0.096  -1.334  0.00  0.00    +0.096 A 
ATOM      4  N   LIG    1       -1.908  -0.877  -2.137  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -1.531  -1.472  -2.865  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.272  -0.760  -2.060  0.00  0.00    +0.263 C 
ATOM      7  C   LIG    1       -3.778   0.040  -0.847  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1       -4.028  -0.940   0.321  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1       -5.226  -0.415   1.055  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -5.738   0.764   0.315  0.00  0.00    +0.121 C 
ATOM     11  O   LIG    1       -2.952   1.122  -0.409  0.00  0.00    -0.457 OA
ATOM     12  C   LIG    1       -5.178   0.605  -1.091  0.00  0.00    +0.079 C 
ATOM     13  O   LIG    1       -3.995  -1.339  -2.865  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1       -1.607   0.872  -0.484  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -0.852   1.673   0.288  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1        0.490   1.497   0.216  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1        6.393  -0.782   2.194  0.00  0.00    +0.173 C 
ATOM     18  N   LIG    1        5.048  -0.520   1.737  0.00  0.00    -0.267 N 
ATOM     19  C   LIG    1        4.677  -0.106   0.480  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        3.288   0.012   0.526  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        2.585   0.430  -0.629  0.00  0.00    -0.006 A 
ATOM     22  C   LIG    1        3.331   0.703  -1.792  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.720   0.577  -1.811  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        2.951  -0.372   1.847  0.00  0.00    +0.143 A 
ATOM     25  C   LIG    1        5.422   0.171  -0.674  0.00  0.00    +0.028 A 
ATOM     26  N   LIG    1        4.016  -0.695   2.583  0.00  0.00    -0.179 NA
ENDBRANCH   1  21
BRANCH   9  27
ATOM     27  C   LIG    1       -5.471  -0.651   2.350  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1       -5.678  -0.858   3.469  0.00  0.00    -0.174 NA
ENDBRANCH   9  27
TORSDOF 2