REMARK  Name = BDB034678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.987   0.315   0.937  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        0.932   1.303   0.698  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.227  -0.336   0.594  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.428   0.338   0.882  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.621  -0.288   0.580  0.00  0.00    +0.072 A 
ATOM      6  N   LIG    1       -3.945   0.146   0.745  0.00  0.00    -0.290 N 
ATOM      7  C   LIG    1       -4.819  -0.866   0.286  0.00  0.00    +0.330 A 
ATOM      8  N   LIG    1       -3.997  -1.916  -0.172  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -4.458  -3.162  -0.711  0.00  0.00    +0.154 C 
ATOM     10  O   LIG    1       -6.039  -0.828   0.283  0.00  0.00    -0.246 OA
ATOM     11  C   LIG    1       -2.656  -1.561   0.013  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1       -1.504  -2.258  -0.270  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -0.284  -1.633   0.030  0.00  0.00    +0.025 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -4.367   1.407   1.312  0.00  0.00    +0.158 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.496   2.548   0.283  0.00  0.00    +0.134 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.549   2.282  -0.799  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -5.766   3.493  -1.697  0.00  0.00    +0.006 C 
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  O   LIG    1       -3.228   2.812  -0.327  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1       -3.020   2.033  -0.874  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  26
ATOM     20  C   LIG    1        4.612  -0.207   0.226  0.00  0.00    +0.153 A 
ATOM     21  N   LIG    1        4.931  -1.306   0.846  0.00  0.00    -0.219 NA
ATOM     22  C   LIG    1        3.924  -1.910   1.547  0.00  0.00    +0.194 A 
ATOM     23  N   LIG    1        2.609  -1.404   1.582  0.00  0.00    -0.197 N 
ATOM     24  N   LIG    1        1.805  -2.182   2.377  0.00  0.00    -0.169 NA
ATOM     25  C   LIG    1        2.597  -3.161   2.814  0.00  0.00    +0.175 A 
ATOM     26  C   LIG    1        2.276  -0.212   0.872  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        3.894  -3.035   2.329  0.00  0.00    +0.187 A 
ATOM     28  F   LIG    1        4.920  -3.851   2.586  0.00  0.00    -0.200 F 
ATOM     29  C   LIG    1        3.264   0.428   0.216  0.00  0.00    +0.079 A 
BRANCH  20  30
ATOM     30  C   LIG    1        5.678   0.534  -0.568  0.00  0.00    +0.358 C 
ATOM     31  O   LIG    1        5.846   1.735  -0.448  0.00  0.00    -0.243 OA
BRANCH  30  32
ATOM     32  O   LIG    1        6.308  -0.318  -1.400  0.00  0.00    -0.460 OA
BRANCH  32  34
ATOM     33  C   LIG    1        8.659   0.253  -1.438  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        7.349   0.253  -2.203  0.00  0.00    +0.229 C 
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  20  30
ENDBRANCH   1  26
TORSDOF 9