REMARK  Name = BDB018658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.572   0.304   0.816  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -4.993  -0.938   0.226  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.479  -0.777   0.388  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -2.780  -2.127   0.461  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -3.360  -3.176   0.732  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -1.417  -2.111   0.314  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -0.942  -2.986   0.499  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.693  -1.019  -0.175  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.376   0.090  -0.682  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -0.647   1.165  -1.197  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.750   1.130  -1.192  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.443   0.015  -0.692  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        0.701  -1.064  -0.185  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -2.880   0.063  -0.752  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -3.400  -0.070   1.750  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -4.576   0.898   1.745  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        2.913  -0.014  -0.692  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.666  -0.801  -1.580  0.00  0.00    +0.049 A 
ATOM     19 CL   LIG    1        2.920  -1.802  -2.777  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        5.063  -0.789  -1.530  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        5.735   0.007  -0.597  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.012   0.799   0.292  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1        3.612   0.782   0.236  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  O   LIG    1        5.527   1.622   1.251  0.00  0.00    -0.406 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.938   1.696   1.376  0.00  0.00    +0.575 C 
ATOM     26  F   LIG    1        7.461   0.491   1.685  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        7.502   2.154   0.238  0.00  0.00    -0.133 F 
ATOM     28  F   LIG    1        7.241   2.556   2.372  0.00  0.00    -0.133 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  12  17
BRANCH   1  30
ATOM     29  N   LIG    1       -8.012   0.831   0.860  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -6.881   0.584   0.838  0.00  0.00    +0.169 C 
ENDBRANCH   1  30
TORSDOF 4