REMARK  Name = BDB062823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.170  -1.027   0.487  0.00  0.00    -0.245 N 
ATOM      2  C   LIG    1       -0.915  -1.601  -0.725  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        0.418  -1.352  -0.998  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1        0.895  -1.865  -2.209  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1        0.046  -2.555  -3.002  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1       -1.223  -2.738  -2.613  0.00  0.00    +0.216 A 
ATOM      7  C   LIG    1        0.895  -0.639   0.145  0.00  0.00    +0.108 A 
ATOM      8  N   LIG    1       -1.785  -2.272  -1.496  0.00  0.00    -0.195 NA
ATOM      9  N   LIG    1       -0.080  -0.477   1.060  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.235  -0.141   0.442  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        2.938   0.646  -0.483  0.00  0.00    +0.162 A 
ATOM     12  F   LIG    1        2.399   0.943  -1.677  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        4.217   1.117  -0.158  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        4.740   0.798   1.084  0.00  0.00    +0.160 A 
ATOM     15  O   LIG    1        5.978   1.363   1.172  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        6.138   1.984  -0.031  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        4.091   0.038   2.048  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1        5.124   1.882  -0.856  0.00  0.00    -0.193 NA
ATOM     19  C   LIG    1        2.815  -0.425   1.696  0.00  0.00    +0.016 A 
BRANCH  16  20
ATOM     20  N   LIG    1        7.289   2.633  -0.211  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.785   2.909   0.627  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        7.279   3.341  -0.935  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   7  10
BRANCH   6  23
ATOM     23  N   LIG    1       -2.041  -3.436  -3.479  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -1.664  -3.388  -4.415  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.003  -3.159  -3.348  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
BRANCH   4  26
ATOM     26  N   LIG    1        2.195  -1.723  -2.684  0.00  0.00    -0.342 N 
ATOM     27  H   LIG    1        2.227  -2.033  -3.651  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        2.566  -0.787  -2.553  0.00  0.00    +0.144 HD
ENDBRANCH   4  26
BRANCH   1  29
ATOM     29  C   LIG    1       -2.428  -1.055   1.210  0.00  0.00    +0.152 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.362   0.177   1.014  0.00  0.00    -0.016 C 
ATOM     31  C   LIG    1       -4.629  -0.082   1.855  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -3.783   0.302  -0.463  0.00  0.00    +0.013 C 
BRANCH  30  34
ATOM     33  C   LIG    1       -3.499   2.740   1.493  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -2.650   1.473   1.492  0.00  0.00    +0.005 C 
ENDBRANCH  30  34
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 7