REMARK  Name = BDB014065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.111  -0.522   0.111  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.081  -0.029   1.496  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        1.570   0.262   1.784  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.422  -0.916   1.528  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        2.239  -1.361   0.135  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.761  -1.683  -0.178  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.639   0.072   2.079  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.803   0.048   0.628  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.692  -0.199  -0.199  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.428  -0.221   0.344  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.399  -0.491  -0.396  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -1.538  -0.735  -1.730  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -0.726  -0.847  -2.309  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -2.733  -0.677  -2.372  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -2.826  -0.840  -3.585  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.900  -0.410  -1.515  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.248  -0.379  -2.170  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.310   0.258  -1.279  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -6.162  -0.228   0.156  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        3.843  -0.667   1.864  0.00  0.00    +0.160 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.577   0.428   1.098  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        5.163   0.097  -0.071  0.00  0.00    -0.227 NA
ATOM     23  C   LIG    1        5.784   1.088  -0.765  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        5.834   2.387  -0.289  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        5.207   2.624   0.911  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1        4.574   1.671   1.617  0.00  0.00    -0.239 NA
BRANCH  23  27
ATOM     27  C   LIG    1        6.474   0.754  -2.079  0.00  0.00    +0.434 C 
ATOM     28  F   LIG    1        6.397   1.773  -2.986  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1        7.806   0.509  -1.920  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1        5.961  -0.338  -2.711  0.00  0.00    -0.164 F 
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 4