REMARK  Name = BDB008505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.804  -0.178  -0.194  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.958   1.099   0.287  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.211   1.778   0.320  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.252   1.259   0.704  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -2.851   0.024   0.460  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1       -4.210  -0.137   0.789  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -4.913   0.948   1.348  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.276   2.169   1.577  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.926   2.351   1.259  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.943  -0.837  -0.120  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        0.747  -2.128  -0.298  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1        0.517  -0.675  -0.749  0.00  0.00    +0.077 C 
ATOM     13  N   LIG    1        1.603   0.282  -0.404  0.00  0.00    -0.290 NA
ATOM     14  C   LIG    1        2.422   0.507  -1.583  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1        1.383   0.528  -2.684  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1        0.463  -0.621  -2.298  0.00  0.00    +0.031 C 
BRANCH  13  17
ATOM     17  C   LIG    1        2.282   0.146   0.883  0.00  0.00    +0.086 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.535  -0.741   0.981  0.00  0.00    +0.030 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.866  -0.070   0.631  0.00  0.00    +0.079 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.231   0.979   1.577  0.00  0.00    -0.330 NA
ATOM     21  H   LIG    1        4.623   1.788   1.455  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1        6.174   1.308   1.367  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1       -4.889  -1.428   0.568  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -4.404  -2.504   0.883  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1       -6.131  -1.356  -0.008  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -6.525  -2.244  -0.292  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -6.420  -0.532  -0.515  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 6