REMARK  Name = BDB004620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.300  -1.229  -0.250  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.996  -1.292   0.227  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -1.367  -0.177   0.835  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.055   1.044   0.951  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -1.451   2.117   1.509  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.191   1.976   1.935  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.536   0.862   1.883  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.378   1.090   0.463  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -0.049  -0.214   1.336  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -3.991  -0.036  -0.126  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -4.230   2.320   0.530  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -5.386   2.321   0.117  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.698   3.455   1.063  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -2.742   3.472   1.406  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.263   4.290   1.105  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   1  17
ATOM     16  C   LIG    1       -5.088  -2.355  -1.339  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.770  -2.385  -0.803  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1        0.679  -1.421   1.265  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        0.160  -2.134   1.770  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.072  -1.377   1.700  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.976  -0.857   0.605  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.087  -1.542  -0.613  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.927  -1.068  -1.623  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.679   0.100  -1.433  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        4.560   0.792  -0.219  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        3.719   0.316   0.790  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.567   0.629  -2.532  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        4.916   1.496  -3.355  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.654   1.304  -2.063  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.063  -0.351  -3.339  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 6