REMARK  Name = BDB038971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.676   2.376   0.117  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.929   1.245  -0.161  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.486   1.339   0.025  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.756   0.021  -0.022  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.424  -1.193  -0.299  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        2.724  -2.407  -0.319  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.345  -2.460  -0.093  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.686  -1.252   0.159  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1       -0.628  -0.916   0.431  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.690   0.460   0.559  0.00  0.00    +0.200 A 
ATOM     11  N   LIG    1        0.501   0.997   0.458  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1        4.917  -1.190  -0.515  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.363  -0.035   0.196  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        5.414   0.166  -1.011  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.222   3.385   0.644  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  N   LIG    1       -1.862   1.113   0.796  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1       -1.738   2.321   1.668  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1       -1.309   3.579   0.884  0.00  0.00    +0.130 C 
ATOM     19  N   LIG    1       -2.197   3.780  -0.264  0.00  0.00    -0.265 N 
ATOM     20  C   LIG    1       -3.293   4.601  -0.211  0.00  0.00    +0.401 C 
ATOM     21  O   LIG    1       -4.236   4.613  -0.986  0.00  0.00    -0.226 OA
ATOM     22  C   LIG    1       -2.229   2.637  -1.171  0.00  0.00    +0.130 C 
ATOM     23  C   LIG    1       -2.694   1.376  -0.413  0.00  0.00    +0.127 C 
BRANCH  20  24
ATOM     24  O   LIG    1       -3.282   5.454   0.827  0.00  0.00    -0.466 OA
ATOM     25  H   LIG    1       -4.104   5.968   0.692  0.00  0.00    +0.297 HD
ENDBRANCH  20  24
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        7.783   3.394   0.022  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        6.979   2.248  -0.258  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -1.753  -1.837   0.617  0.00  0.00    +0.092 C 
ATOM     29  C   LIG    1       -1.519  -2.788   1.796  0.00  0.00    +0.031 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -2.103  -2.564  -0.697  0.00  0.00    +0.060 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.444  -3.259  -0.661  0.00  0.00    -0.045 A 
ATOM     32  C   LIG    1       -4.631  -2.518  -0.737  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -5.870  -3.159  -0.693  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.934  -4.546  -0.574  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.760  -5.293  -0.500  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -3.520  -4.654  -0.543  0.00  0.00    +0.004 A 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 6