REMARK  Name = BDB003976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.250  -0.175   0.421  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.637  -0.162   0.060  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -2.255  -0.972  -0.914  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -3.609  -0.601  -0.963  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -4.498  -1.192  -1.841  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.010  -2.194  -2.681  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.658  -2.579  -2.632  0.00  0.00    +0.019 A 
ATOM      8  N   LIG    1       -3.819   0.417  -0.014  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -1.759  -1.967  -1.745  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.590   0.714   0.609  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -2.404   1.561   1.470  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -5.046   1.141   0.264  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -5.519   1.940  -0.965  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -4.798   2.196  -1.931  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.810   2.437  -0.972  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.057   2.868  -1.854  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.723   2.718   0.019  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.775   3.285  -0.273  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.377   2.389   1.448  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -7.146   0.910   1.717  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -6.144   0.212   0.795  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   9  22
ATOM     22  C   LIG    1       -0.395  -2.397  -1.747  0.00  0.00    -0.064 C 
ATOM     23  C   LIG    1        0.748  -2.766  -1.763  0.00  0.00    -0.097 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.150  -3.205  -1.771  0.00  0.00    +0.089 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.026  -2.337  -2.677  0.00  0.00    +0.013 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.119  -0.857  -2.282  0.00  0.00    +0.001 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.605  -0.579  -0.858  0.00  0.00    +0.011 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.008  -1.106  -0.583  0.00  0.00    +0.120 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.441  -0.732   0.812  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1        5.285  -1.456   1.784  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        5.984   0.513   0.812  0.00  0.00    -0.459 OA
BRANCH  31  32
ATOM     32  C   LIG    1        6.447   1.121   2.046  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        6.982   2.498   1.626  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        5.291   1.324   3.031  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        7.595   0.317   2.666  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   9  22
TORSDOF 10