REMARK  Name = BDB014181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.887  -0.789  -0.282  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.420  -0.478  -0.553  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.035  -0.375   0.681  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.123  -0.649   1.681  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.012  -0.907   1.071  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.434  -0.028   0.922  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.737   0.425   2.163  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.015   0.766   2.415  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.035   0.673   1.485  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.727   0.190   0.215  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.401  -0.155  -0.070  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.725   0.057  -0.828  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        7.046  -0.313  -0.711  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        7.505  -0.301  -1.996  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        8.429  -0.521  -2.355  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        6.540   0.036  -2.860  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        5.437   0.251  -2.156  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        7.922  -0.695   0.390  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        8.279   0.374   1.141  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        9.075  -1.249  -0.068  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        7.353  -1.599   1.219  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -1.919  -1.052  -1.262  0.00  0.00    +0.131 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -4.783  -0.831   0.154  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -3.917   0.216  -0.244  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.005   0.038  -1.454  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1       -2.427   1.365  -1.985  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -1.964   2.303  -0.880  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -3.106   2.624   0.072  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -3.909   1.419   0.494  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -4.734   1.546   1.622  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.557   0.500   2.022  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.587  -0.683   1.288  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -5.649  -3.016  -0.287  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -4.772  -1.952  -0.638  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 6