REMARK  Name = BDB062520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.338  -1.759  -0.395  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.312  -0.899  -0.067  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1        0.573  -0.040   0.405  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.204  -2.901  -0.818  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1        4.893  -1.129   0.427  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        4.449   0.158   0.164  0.00  0.00    -0.313 N 
ATOM      7  C   LIG    1        3.121   0.094  -0.270  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1        2.527   1.313  -0.733  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        3.178   2.491  -0.630  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        4.518   2.522  -0.060  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        2.671  -1.212  -0.132  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1        5.118   1.377   0.303  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1        3.797  -1.968   0.294  0.00  0.00    +0.044 A 
BRANCH   5  15
ATOM     14  C   LIG    1        7.416  -0.885   0.160  0.00  0.00    +0.093 C 
ATOM     15  C   LIG    1        6.229  -1.561   0.799  0.00  0.00    +0.177 C 
ATOM     16  O   LIG    1        6.417  -2.484   1.593  0.00  0.00    -0.291 OA
ENDBRANCH   5  15
BRANCH   9  17
ATOM     17  N   LIG    1        2.647   3.689  -1.048  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        2.951   4.486  -0.496  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        1.636   3.674  -1.162  0.00  0.00    +0.142 HD
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  C   LIG    1       -1.077  -1.095  -0.225  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1       -1.917  -0.070   0.241  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -1.335   1.012   0.790  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -3.311  -0.144   0.130  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -3.861  -1.290  -0.462  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -3.042  -2.329  -0.938  0.00  0.00    -0.020 A 
ATOM     26  C   LIG    1       -1.648  -2.220  -0.819  0.00  0.00    +0.032 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -4.161   0.930   0.622  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -5.443   1.201   0.184  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1       -5.875   2.284   0.894  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1       -7.157   2.938   0.790  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -4.964   2.750   1.764  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -3.925   1.928   1.598  0.00  0.00    +0.143 A 
ENDBRANCH  23  27
BRANCH  25  33
ATOM     33  C   LIG    1       -3.664  -3.543  -1.579  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1       -4.553  -4.174  -0.667  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1       -4.107  -4.192   0.198  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH  25  33
ENDBRANCH   2  20
TORSDOF 7