REMARK  Name = BDB014935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.274  -1.029  -0.137  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.392  -2.016  -0.319  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -4.320  -4.440  -1.846  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.215  -3.401  -1.217  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.601  -2.275  -0.681  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.146  -2.220  -0.433  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.695  -0.823  -0.201  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.395  -0.268  -0.063  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.470   1.054   0.123  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.786   1.348   0.114  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.558   0.243  -0.065  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -5.035   0.154  -0.163  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.453  -1.315   0.051  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -6.435  -3.569  -1.207  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.216   2.736   0.277  0.00  0.00    +0.130 C 
ATOM     16  C   LIG    1       -2.510   3.406   1.458  0.00  0.00    +0.035 C 
BRANCH  15  17
ATOM     17  C   LIG    1       -2.993   3.521  -1.021  0.00  0.00    +0.182 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -4.008   3.195  -1.974  0.00  0.00    -0.393 OA
ATOM     19  H   LIG    1       -3.730   3.581  -2.824  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.091  -0.707   0.044  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        1.548   0.552   0.447  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.916   0.819   0.594  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        3.863  -0.173   0.333  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1        3.424  -1.432  -0.082  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.055  -1.692  -0.225  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.277   0.100   0.487  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        6.024   0.608   1.592  0.00  0.00    +0.173 A 
ATOM     28  N   LIG    1        7.333   0.716   1.273  0.00  0.00    -0.167 NA
ATOM     29  N   LIG    1        7.406   0.280   0.005  0.00  0.00    -0.273 N 
ATOM     30  C   LIG    1        8.684   0.264  -0.666  0.00  0.00    +0.172 C 
ATOM     31  C   LIG    1        6.207  -0.106  -0.510  0.00  0.00    +0.117 A 
BRANCH  27  32
ATOM     32  C   LIG    1        5.485   0.979   2.948  0.00  0.00    +0.437 C 
ATOM     33  F   LIG    1        4.747   2.123   2.905  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        4.671   0.013   3.458  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        6.457   1.185   3.879  0.00  0.00    -0.164 F 
ENDBRANCH  27  32
ENDBRANCH  23  26
ENDBRANCH   1  20
TORSDOF 7