REMARK  Name = BDB025190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.012  -0.444  -0.620  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.886  -1.128  -0.127  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.089  -2.542   0.254  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.922  -2.663   1.541  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.798  -3.353   0.450  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.752  -2.948  -0.567  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.472  -1.488  -0.361  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.163  -0.964  -0.401  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.021  -1.617  -0.602  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.974  -0.706  -0.544  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.435   0.548  -0.316  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.943   0.392  -0.213  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.990   1.283   0.037  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.289   0.758   0.067  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.551  -0.602  -0.148  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        7.151  -0.906  -0.596  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.089   1.844  -0.144  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.328   2.128  -1.000  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.710   3.622  -0.940  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.484   4.239   0.451  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.459   3.187   1.556  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.345   2.160   1.342  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.154   3.823  -1.373  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -5.024   2.969  -1.321  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.403   5.076  -1.819  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.632   5.674  -1.806  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.869   1.424  -1.759  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.735   0.759  -1.200  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.415  -1.062  -0.729  0.00  0.00    +0.075 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.182  -1.120   0.592  0.00  0.00    +0.011 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.636  -1.529   0.348  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -5.494  -1.700   1.629  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -5.198  -3.211   1.563  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -4.916  -3.029   0.060  0.00  0.00    +0.003 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7