REMARK  Name = BDB029277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.524   1.158   1.091  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.207   2.141   0.176  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.601   2.138   0.770  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.782   0.705   1.271  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.447   0.217   1.591  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        4.720   0.527  -1.278  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        3.528   0.093  -0.676  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.887  -1.156  -0.457  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        1.704  -0.910   0.207  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        1.601   0.446   0.406  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        2.706   1.069  -0.129  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1        2.930   2.398  -0.121  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        4.104   2.701  -0.705  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1        4.994   1.863  -1.270  0.00  0.00    -0.240 NA
BRANCH   6  15
ATOM     15  C   LIG    1        5.735  -0.378  -1.923  0.00  0.00    +0.084 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.734  -0.917  -0.904  0.00  0.00    +0.165 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.011  -2.491   0.831  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        6.144  -2.003  -0.184  0.00  0.00    -0.383 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1        0.330   3.472   0.202  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        1.283   3.377  -0.019  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.636   3.048   1.885  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -1.100   3.817   1.593  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.416  -0.263   0.242  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.930  -0.390   0.279  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.509  -1.622  -0.088  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -5.880  -1.724  -0.081  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -7.034  -2.650  -0.332  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1       -7.954  -1.448   0.064  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -6.687  -0.671   0.264  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -6.173   0.551   0.622  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.780   0.690   0.625  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -2.012   0.073  -1.090  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -2.708  -0.240  -1.695  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 9