REMARK  Name = BDB012638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.732   1.281  -2.414  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        1.506   1.413  -1.664  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.658   0.396  -1.278  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.358   1.048  -0.584  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -0.141   2.417  -0.580  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.984   2.596  -1.229  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.891  -1.014  -1.587  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        1.899  -1.756  -0.947  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1        2.137  -3.087  -1.291  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1        1.336  -3.690  -2.252  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1        1.552  -4.970  -2.580  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        0.316  -2.986  -2.882  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        0.095  -1.647  -2.553  0.00  0.00    +0.016 A 
BRANCH   8  14
ATOM     14  O   LIG    1        2.719  -1.168  -0.017  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.196  -1.382   1.302  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.955  -0.570   2.314  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        3.351   0.859   2.035  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1        4.409  -0.209   2.134  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1       -1.514   0.444   0.081  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1       -1.572  -0.908   0.157  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1       -2.630  -1.453   0.789  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1       -3.650  -0.713   1.356  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -3.594   0.680   1.270  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -2.499   1.263   0.629  0.00  0.00    +0.040 A 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.654   1.468   1.868  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1       -5.138   2.695   1.494  0.00  0.00    +0.152 A 
ATOM     27 CL   LIG    1       -4.828   3.819   0.270  0.00  0.00    -0.060 Cl
ATOM     28  N   LIG    1       -6.136   2.965   2.374  0.00  0.00    -0.246 N 
ATOM     29  H   LIG    1       -6.739   3.775   2.432  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -6.293   1.960   3.250  0.00  0.00    -0.066 NA
ATOM     31  N   LIG    1       -5.393   1.030   2.946  0.00  0.00    -0.128 NA
ENDBRANCH  23  25
ENDBRANCH   4  19
TORSDOF 6