REMARK  Name = BDB025369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.178  -0.091   3.221  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        1.036   0.087   2.553  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        2.400   0.485   2.980  0.00  0.00    +0.059 C 
ATOM      4  C   LIG    1        3.442   0.003   1.941  0.00  0.00    +0.110 C 
ATOM      5  N   LIG    1        3.057   0.381   0.557  0.00  0.00    -0.324 N 
ATOM      6  C   LIG    1        1.721  -0.112   0.106  0.00  0.00    +0.161 C 
ATOM      7  C   LIG    1        0.751  -0.174   1.233  0.00  0.00    +0.070 A 
ATOM      8  N   LIG    1       -0.587  -0.491   1.158  0.00  0.00    -0.200 N 
ATOM      9  C   LIG    1       -1.334  -0.844   0.016  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.753  -0.939  -1.062  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -1.154  -0.459   2.398  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.826  -1.075   0.238  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.639   0.155  -0.128  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.399   0.192  -1.313  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.169   1.331  -1.595  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.148   2.441  -0.750  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.377   2.403   0.400  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -4.362   3.462   1.221  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -4.538  -0.930  -2.140  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.749  -0.676  -3.102  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.507  -1.951  -2.032  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.632   1.275   0.722  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.271  -2.305  -0.571  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   5  24
ATOM     24  C   LIG    1        4.041   0.316  -0.446  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.832   0.966  -1.675  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.784   0.933  -2.700  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.979   0.248  -2.516  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.220  -0.394  -1.307  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.263  -0.355  -0.285  0.00  0.00    +0.023 A 
ENDBRANCH   5  24
BRANCH   1  30
ATOM     30  N   LIG    1       -0.353   0.077   4.534  0.00  0.00    -0.341 N 
ATOM     31  H   LIG    1        0.428   0.085   5.177  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -1.218  -0.265   4.938  0.00  0.00    +0.144 HD
ENDBRANCH   1  30
TORSDOF 3