REMARK  Name = BDB061622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.318  -1.534  -2.442  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -2.504  -2.191   1.681  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.246  -1.454   0.393  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.094  -0.405  -0.015  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -2.814   0.263  -1.204  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.715  -0.105  -1.990  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.878  -1.155  -1.603  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -1.145  -1.817  -0.401  0.00  0.00    +0.012 A 
BRANCH   4   9
ATOM      9  O   LIG    1       -4.123  -0.146   0.838  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -5.173   0.810   0.636  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -6.027   0.497  -0.598  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -4.661   2.252   0.701  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.081   0.601   1.868  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -5.943  -0.206   2.775  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.148   1.435   1.903  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.608   1.173   2.729  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1        1.489  -0.766  -2.093  0.00  0.00    -0.208 N 
ATOM     18  C   LIG    1        2.418  -1.104  -1.099  0.00  0.00    +0.351 A 
ATOM     19  O   LIG    1        2.418  -2.149  -0.465  0.00  0.00    -0.244 OA
ATOM     20  N   LIG    1        3.279  -0.020  -1.024  0.00  0.00    -0.250 N 
ATOM     21  C   LIG    1        2.794   0.861  -1.930  0.00  0.00    +0.230 A 
ATOM     22  N   LIG    1        1.742   0.487  -2.588  0.00  0.00    -0.157 NA
BRANCH  20  23
ATOM     23  C   LIG    1        4.403   0.144  -0.177  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        4.788  -0.851   0.733  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.900  -0.687   1.571  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        6.661   0.484   1.529  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.294   1.480   0.619  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        5.180   1.313  -0.218  0.00  0.00    +0.027 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.872   0.654   2.414  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.783  -0.035   3.585  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.098   1.952   2.762  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        9.015   0.225   1.812  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 8