REMARK  Name = BDB022195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.170   1.468   0.005  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.447   0.457  -0.634  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.514  -0.561  -0.852  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -2.680   0.244  -1.212  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -2.661  -0.248  -2.090  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.874  -0.374  -0.360  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        0.997  -0.378   1.173  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.434  -0.035   1.566  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        2.832   1.294   1.120  0.00  0.00    -0.298 NA
ATOM     10  C   LIG    1        2.060   1.861   0.019  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        1.589   0.830  -1.006  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.268   1.562   1.121  0.00  0.00    +0.121 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.077   0.869   0.054  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1        5.269   1.448  -1.197  0.00  0.00    +0.115 A 
ATOM     15  N   LIG    1        5.980   0.883  -2.201  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        6.539  -0.318  -1.944  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        6.420  -0.979  -0.734  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.679  -0.373   0.277  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   4  19
ATOM     19  C   LIG    1       -3.866   0.962  -0.949  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -4.050   1.754   0.188  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -5.265   2.426   0.412  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -6.298   2.296  -0.527  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -6.127   1.496  -1.655  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.919   0.828  -1.861  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.433   3.295   1.633  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -6.740   3.520   1.952  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.872   4.526   1.480  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.871   2.759   2.752  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH   4  19
BRANCH   3  29
ATOM     29  C   LIG    1       -0.867  -1.920  -1.290  0.00  0.00    +0.146 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.017  -2.894  -0.153  0.00  0.00    -0.012 A 
ATOM     31  C   LIG    1       -0.191  -4.010  -0.056  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1       -0.268  -4.931   0.930  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1       -1.215  -4.734   1.872  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1       -2.091  -3.663   1.868  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -1.991  -2.732   0.838  0.00  0.00    +0.008 A 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 7