REMARK  Name = BDB062240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.953   0.275   0.377  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        2.245   0.293  -0.827  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        0.847   0.237  -0.777  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        0.208   0.290  -2.016  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1        0.842   0.364  -3.202  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        2.175   0.398  -3.130  0.00  0.00    +0.221 A 
ATOM      7  C   LIG    1        0.188   0.145   0.469  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        0.875   0.152   1.625  0.00  0.00    -0.239 NA
ATOM      9  N   LIG    1        2.901   0.368  -2.004  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.221   0.212   1.557  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.661  -2.158   0.002  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        5.239  -0.797   0.272  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.421   0.334   0.432  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        5.062   1.559   0.672  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.449   1.625   0.747  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        7.165   0.456   0.583  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        6.596  -0.745   0.354  0.00  0.00    -0.260 NA
ENDBRANCH   1  13
BRANCH   7  18
ATOM     18  N   LIG    1       -1.217   0.084   0.515  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -1.544  -0.693  -0.060  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.789  -0.031   1.864  0.00  0.00    +0.147 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.319  -0.131   1.794  0.00  0.00    +0.195 C 
ATOM     22  O   LIG    1       -3.693  -1.294   0.996  0.00  0.00    -0.487 OA
ATOM     23  C   LIG    1       -4.831  -0.894   0.347  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -5.083   0.467   0.444  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.186   1.028  -0.173  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1       -7.034   0.179  -0.882  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.780  -1.194  -0.983  0.00  0.00    +0.042 A 
ATOM     28  F   LIG    1       -8.113   0.690  -1.489  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.657  -1.745  -0.362  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -3.993   1.120   1.205  0.00  0.00    +0.085 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4