REMARK  Name = BDB064490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.071  -0.542   2.079  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -1.560   1.929   2.994  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -2.196   0.900   2.100  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1       -1.501  -0.244   1.662  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -2.159  -1.145   0.806  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -3.474  -0.921   0.382  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.160   0.212   0.800  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -3.513   1.112   1.653  0.00  0.00    +0.049 A 
BRANCH   7   9
ATOM      9  O   LIG    1       -5.433   0.577   0.477  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -6.242  -0.168  -0.434  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -6.763  -1.449   0.237  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -7.465   0.733  -0.700  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -5.631  -0.463  -1.817  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -5.616  -1.542  -2.392  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.070   0.616  -2.404  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -4.702   0.276  -3.246  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  N   LIG    1        0.911   0.422   1.558  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1        2.252   0.198   2.135  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        3.237  -0.613   1.259  0.00  0.00    +0.120 C 
ATOM     20  N   LIG    1        3.398  -0.001  -0.071  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1        2.305   0.877  -0.520  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        0.957   0.410   0.078  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.579  -0.126  -0.783  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        5.466  -1.191  -0.559  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        6.662  -1.332  -1.277  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        7.019  -0.397  -2.252  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.146   0.665  -2.501  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        4.952   0.792  -1.777  0.00  0.00    +0.023 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.293  -0.553  -3.044  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        9.284  -1.175  -2.346  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.819   0.636  -3.453  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.114  -1.291  -4.174  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 8