REMARK  Name = BDB035331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.887  -4.459   0.149  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -0.785  -3.725   0.726  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.528  -2.373   0.624  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        0.639  -2.176   1.351  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.971  -3.447   1.863  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        0.116  -4.392   1.473  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.312  -0.905   1.521  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.787  -0.201   0.401  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        2.429   1.040   0.538  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        2.586   1.554   1.840  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.248   2.869   2.032  0.00  0.00    +0.256 A 
ATOM     12  N   LIG    1        3.664   3.508   0.889  0.00  0.00    -0.328 N 
ATOM     13  H   LIG    1        4.120   4.401   1.032  0.00  0.00    +0.168 HD
ATOM     14  C   LIG    1        3.517   3.007  -0.375  0.00  0.00    +0.091 A 
ATOM     15  O   LIG    1        3.411   3.362   3.142  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        2.123   0.854   2.962  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        2.939   1.818  -0.621  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1        1.489  -0.376   2.801  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.778   1.323  -2.034  0.00  0.00    +0.115 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.796   0.340  -2.379  0.00  0.00    -0.326 NA
ATOM     21  H   LIG    1        3.746  -0.453  -1.742  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        3.611  -0.028  -3.310  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.372  -1.422  -0.110  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -2.161  -0.453   0.543  0.00  0.00    +0.071 A 
ATOM     25  C   LIG    1       -2.938   0.481  -0.203  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.908   0.414  -1.620  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1       -3.661   1.318  -2.387  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.448   2.293  -1.777  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.492   2.377  -0.393  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -2.126  -0.555  -2.255  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -3.749   1.485   0.384  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -1.373  -1.452  -1.507  0.00  0.00    +0.134 A 
ATOM     33  F   LIG    1       -0.631  -2.357  -2.162  0.00  0.00    -0.205 F 
BRANCH  24  34
ATOM     34  C   LIG    1       -2.199  -0.421   1.982  0.00  0.00    +0.101 C 
ATOM     35  N   LIG    1       -2.256  -0.384   3.141  0.00  0.00    -0.191 NA
ENDBRANCH  24  34
ENDBRANCH   3  23
TORSDOF 5