REMARK  Name = BDB042570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245   0.549  -0.935  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        0.968   0.236  -0.333  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        1.498   1.161   0.677  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        2.573   2.079   0.059  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1        3.637   1.285  -0.612  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1        3.094   0.320  -1.607  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        2.015  -0.583  -0.964  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1       -0.895   1.542  -0.607  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.792   0.912   0.075  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        5.921   0.471  -0.641  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1        7.112   0.100   0.002  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        7.190   0.176   1.384  0.00  0.00    +0.141 A 
ATOM     13  F   LIG    1        8.312  -0.173   2.028  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1        6.105   0.625   2.123  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        4.923   0.995   1.470  0.00  0.00    +0.026 A 
BRANCH  11  16
ATOM     16  C   LIG    1        8.234  -0.345  -0.763  0.00  0.00    +0.102 C 
ATOM     17  N   LIG    1        9.123  -0.709  -1.415  0.00  0.00    -0.191 NA
ENDBRANCH  11  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.725  -0.389  -2.033  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.186  -0.151  -2.425  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -5.273   1.770   1.462  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.450   0.276   1.379  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.756  -0.513   0.434  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -4.962  -1.908   0.413  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -4.229  -2.734  -0.578  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -3.374  -2.059  -1.424  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.898  -2.649  -2.096  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.159  -0.704  -1.411  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -4.351  -3.949  -0.666  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -5.844  -2.501   1.315  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -6.062  -3.823   1.322  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -6.529  -1.726   2.244  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -3.816   0.072  -0.535  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -6.334  -0.347   2.277  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5