REMARK  Name = BDB027582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.257  -1.381  -3.193  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        2.185  -0.448  -2.776  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        2.226   0.247  -1.495  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.688   0.710  -1.337  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        4.114   0.894  -2.797  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        3.429  -0.267  -3.499  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.417  -2.105  -4.170  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -2.022  -0.569  -1.508  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -2.346  -1.824  -0.942  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -1.496  -2.915  -1.142  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -0.322  -2.765  -1.883  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        0.009  -1.516  -2.410  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -0.845  -0.421  -2.245  0.00  0.00    +0.060 A 
BRANCH   9  14
ATOM     14  N   LIG    1       -3.549  -1.899  -0.206  0.00  0.00    -0.279 N 
ATOM     15  H   LIG    1       -4.055  -1.022  -0.168  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -4.050  -2.969   0.493  0.00  0.00    +0.241 C 
ATOM     17  O   LIG    1       -3.514  -4.054   0.682  0.00  0.00    -0.271 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -5.366  -2.705   1.139  0.00  0.00    +0.064 C 
ATOM     19  C   LIG    1       -6.353  -1.996   0.569  0.00  0.00    -0.007 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -7.735  -1.690   1.086  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -8.188  -2.154   2.390  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -8.371  -3.593   2.497  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -7.495  -1.571   3.527  0.00  0.00    +0.104 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH   9  14
BRANCH   8  25
ATOM     24  C   LIG    1       -2.671   1.701  -1.869  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.933   0.437  -1.271  0.00  0.00    -0.493 OA
ENDBRANCH   8  25
ENDBRANCH   1  12
BRANCH   4  26
ATOM     26  N   LIG    1        3.768   1.948  -0.575  0.00  0.00    -0.309 N 
ATOM     27  H   LIG    1        3.124   2.027   0.207  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        5.011   2.219  -0.016  0.00  0.00    +0.216 A 
ATOM     29  N   LIG    1        4.974   2.831   1.174  0.00  0.00    -0.215 NA
ATOM     30  C   LIG    1        6.140   3.128   1.767  0.00  0.00    +0.076 A 
ATOM     31  C   LIG    1        7.372   2.813   1.191  0.00  0.00    +0.019 A 
ATOM     32  C   LIG    1        8.584   3.135   1.833  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1        8.564   3.778   3.067  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.343   4.097   3.652  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        7.294   2.174  -0.034  0.00  0.00    +0.124 A 
ATOM     36  C   LIG    1        6.149   3.770   3.000  0.00  0.00    +0.028 A 
ATOM     37  N   LIG    1        6.136   1.865  -0.647  0.00  0.00    -0.222 NA
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 8