REMARK  Name = BDB053731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.332  -0.647   1.069  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.129  -1.978   1.492  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -0.995  -2.482   0.840  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.347  -3.832   1.010  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.573  -4.587   1.886  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        0.504  -3.989   2.514  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.511  -1.456   0.049  0.00  0.00    -0.278 N 
ATOM      8  N   LIG    1        0.894  -2.715   2.337  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -0.694  -0.330   0.185  0.00  0.00    +0.221 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.411   0.718   2.619  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.408   0.227   1.493  0.00  0.00    +0.254 C 
ATOM     12  N   LIG    1        2.392   0.515   0.551  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.449   1.462   0.901  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.999   2.180  -0.343  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.495   1.295  -1.413  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.227   1.697  -2.312  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.955  -0.070  -1.305  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.525  -0.157  -0.745  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.694  -1.532  -0.753  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.814  -2.239  -0.295  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.971  -2.308  -1.075  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.018  -1.672  -2.314  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.912  -0.961  -2.772  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.753  -0.885  -1.996  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1       -0.992   0.801  -0.470  0.00  0.00    -0.436 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.740   2.034   0.078  0.00  0.00    +0.168 A 
ATOM     27  C   LIG    1       -0.044   2.967  -0.692  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1        0.406   2.635  -1.911  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        0.208   4.247  -0.205  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1       -0.257   4.601   1.061  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -0.970   3.673   1.817  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -1.434   4.028   3.022  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -1.224   2.392   1.336  0.00  0.00    +0.087 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4