REMARK  Name = BDB018623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.258   3.497   0.683  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.039   2.411   1.071  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.454   1.330   0.169  0.00  0.00    +0.133 C 
ATOM      4  C   LIG    1        1.471  -0.029   0.889  0.00  0.00    +0.105 C 
ATOM      5  C   LIG    1        0.045  -0.532   1.123  0.00  0.00    +0.032 C 
ATOM      6  N   LIG    1        2.201   0.092   2.139  0.00  0.00    -0.304 N 
ATOM      7  C   LIG    1        2.361   1.289   2.795  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1        3.070   1.086   3.882  0.00  0.00    -0.132 NA
ATOM      9  N   LIG    1        3.375  -0.250   3.938  0.00  0.00    -0.127 NA
ATOM     10  C   LIG    1        2.856  -0.862   2.882  0.00  0.00    +0.183 A 
ATOM     11  C   LIG    1        1.835   2.586   2.288  0.00  0.00    +0.184 C 
ATOM     12  O   LIG    1        0.155   4.532   1.334  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.482   2.490  -1.698  0.00  0.00    -0.041 A 
ATOM     14  C   LIG    1       -1.707   2.602  -0.533  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.543   3.379  -0.541  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -0.156   4.059  -1.689  0.00  0.00    +0.135 A 
ATOM     17  F   LIG    1        0.967   4.790  -1.712  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -0.919   3.960  -2.848  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -2.078   3.177  -2.855  0.00  0.00    +0.007 A 
BRANCH  13  20
ATOM     20  C   LIG    1       -3.727   1.633  -1.701  0.00  0.00    +0.092 C 
BRANCH  20  28
ATOM     21  C   LIG    1       -2.255  -2.635  -3.999  0.00  0.00    +0.049 C 
ATOM     22  C   LIG    1       -2.676  -1.824  -2.817  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -2.727  -2.521  -1.505  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -2.421  -3.703  -1.393  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -3.129  -1.761  -0.435  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -3.172  -2.220   0.469  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -3.451  -0.435  -0.465  0.00  0.00    -0.176 NA
ATOM     28  C   LIG    1       -3.396   0.153  -1.621  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1       -3.005  -0.528  -2.878  0.00  0.00    +0.034 A 
ENDBRANCH  20  28
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  10  30
ATOM     30  C   LIG    1        2.974  -2.296   2.603  0.00  0.00    +0.108 A 
ATOM     31  N   LIG    1        2.403  -2.753   1.461  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1        2.497  -4.079   1.208  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        3.141  -4.980   2.038  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        3.728  -4.496   3.200  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        3.644  -3.136   3.489  0.00  0.00    +0.031 A 
ENDBRANCH  10  30
TORSDOF 4