REMARK  Name = BDB052248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.146  -0.833   0.489  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1        0.478  -1.976   0.030  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.916  -1.991  -0.104  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.679  -0.861   0.219  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.007   0.282   0.672  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.385   0.298   0.808  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.140  -0.827   0.097  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1       -3.934  -1.931  -0.109  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -3.607  -2.881  -0.191  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -5.247  -1.535  -0.168  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -5.203  -0.159   0.039  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1       -6.413   0.558   0.040  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -7.620  -0.137  -0.169  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -7.622  -1.518  -0.372  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -6.429  -2.250  -0.375  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -3.897   0.252   0.182  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1       -6.424   2.014   0.275  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -5.778   2.555   1.160  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -7.227   2.748  -0.560  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -7.115   3.752  -0.492  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -7.536   2.371  -1.445  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  24
ATOM     22  N   LIG    1        4.802   0.133  -0.203  0.00  0.00    -0.299 NA
ATOM     23  C   LIG    1        3.333   0.183  -0.319  0.00  0.00    +0.092 C 
ATOM     24  C   LIG    1        2.660  -0.843   0.621  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1        3.109  -0.620   2.073  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        4.632  -0.589   2.158  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        5.228   0.421   1.175  0.00  0.00    +0.085 C 
BRANCH  22  29
ATOM     28  C   LIG    1        5.108   2.435  -1.250  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        5.525   0.961  -1.190  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1        5.437   0.332  -2.587  0.00  0.00    +0.024 C 
ENDBRANCH  22  29
ENDBRANCH   1  24
TORSDOF 4