REMARK  Name = BDB035338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.166   0.206   0.424  0.00  0.00    +0.240 C 
ATOM      2  N   LIG    1        0.185   0.323  -0.910  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.276   1.041  -1.375  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.246   1.132  -2.813  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        2.216   1.735  -3.508  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.358   2.347  -2.774  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        3.322   2.251  -1.382  0.00  0.00    -0.309 N 
ATOM      8  O   LIG    1        4.252   2.892  -3.418  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.003   0.488  -3.314  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        2.293   1.598  -0.706  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.581  -0.170  -2.063  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1        0.342   0.938   1.291  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -1.250  -0.803   0.924  0.00  0.00    +0.162 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.488  -2.186   0.255  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -1.480  -3.306   1.330  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -1.642  -4.698   0.722  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -2.898  -4.798  -0.133  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -2.934  -3.703  -1.190  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -2.785  -2.315  -0.565  0.00  0.00    +0.006 C 
ENDBRANCH  13  14
BRANCH  13  21
ATOM     20  C   LIG    1       -3.290   0.653   0.773  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -2.410  -0.126   1.494  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -2.325   0.201   2.457  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -3.317   0.702  -0.450  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.275   1.427   1.688  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -4.884   2.605   0.931  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -4.431   2.263   3.982  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -3.539   1.847   2.909  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -2.915   2.621   2.668  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  13  21
ENDBRANCH   1  13
BRANCH   7  29
ATOM     29  C   LIG    1        4.422   2.826  -0.610  0.00  0.00    +0.163 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.483   1.807  -0.270  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        5.537   1.236   1.006  0.00  0.00    +0.131 A 
ATOM     32  F   LIG    1        4.651   1.608   1.942  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        6.496   0.286   1.337  0.00  0.00    +0.077 A 
ATOM     34  C   LIG    1        7.416  -0.102   0.374  0.00  0.00    +0.126 A 
ATOM     35  F   LIG    1        8.345  -1.016   0.680  0.00  0.00    -0.205 F 
ATOM     36  C   LIG    1        7.388   0.443  -0.906  0.00  0.00    +0.039 A 
ATOM     37  C   LIG    1        6.422   1.397  -1.230  0.00  0.00    +0.011 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 7