REMARK  Name = BDB034757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.959  -3.339  -3.712  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.620  -2.697  -2.476  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.594  -2.059  -2.200  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.534  -1.566  -0.898  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.585  -0.868  -0.336  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.731  -0.653  -1.116  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.776  -1.165  -2.437  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -0.720  -1.900  -0.367  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1        1.706  -1.879  -2.992  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.460  -2.607  -1.343  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.589  -3.057  -1.234  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.818   0.117  -0.655  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        4.706  -0.148  -1.077  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.872   1.189   0.267  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.027   1.438   1.032  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        4.989   2.475   1.955  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        6.326   2.891   2.960  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        3.915   3.266   2.174  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        2.820   3.016   1.432  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        2.753   2.004   0.489  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        6.203   0.646   0.868  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        7.138  -0.016   0.679  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -1.215  -1.538   0.943  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.557  -0.028   1.097  0.00  0.00    +0.077 C 
ATOM     25  N   LIG    1       -2.664   0.356   0.195  0.00  0.00    -0.290 NA
ATOM     26  C   LIG    1       -3.855   0.887   0.859  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1       -4.295  -0.043   1.988  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -3.204  -0.232   3.041  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1       -1.851   0.297   2.574  0.00  0.00    +0.021 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -2.241   1.176  -0.968  0.00  0.00    +0.198 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.750   2.624  -0.768  0.00  0.00    +0.402 C 
ATOM     32  F   LIG    1       -0.679   2.690   0.059  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1       -1.367   3.159  -1.952  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1       -2.713   3.424  -0.259  0.00  0.00    -0.169 F 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7