REMARK  Name = BDB031390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.126  -0.908   0.856  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.643  -2.236   0.412  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.257  -2.535   1.027  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.752  -1.500   0.700  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.241  -0.180   1.132  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.148   0.159   0.535  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.105   0.139   0.073  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.605  -0.922  -0.594  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.319  -1.251  -0.333  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.853  -2.304  -1.025  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.462  -0.570   0.556  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.047   0.516   1.226  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.372   0.882   0.988  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.126   2.282  -0.715  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.813   1.845  -0.307  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.042   2.484  -0.448  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.534   0.489  -0.212  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.384  -0.382  -0.361  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.037  -1.835   1.332  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.188  -1.009   0.808  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.742  -1.288  -0.449  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.272  -2.312  -1.178  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.791  -0.523  -0.954  0.00  0.00    +0.104 A 
ATOM     24  N   LIG    1       -5.340  -0.810  -2.218  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1       -4.962  -1.579  -2.761  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.376  -0.100  -2.787  0.00  0.00    +0.278 A 
ATOM     27  C   LIG    1       -6.873   0.976  -1.988  0.00  0.00    +0.167 A 
ATOM     28  N   LIG    1       -6.348   1.265  -0.756  0.00  0.00    -0.222 N 
ATOM     29  N   LIG    1       -6.945   2.320  -0.147  0.00  0.00    -0.171 NA
ATOM     30  C   LIG    1       -7.877   2.701  -1.030  0.00  0.00    +0.174 A 
ATOM     31  C   LIG    1       -7.863   1.899  -2.175  0.00  0.00    +0.174 A 
ATOM     32  F   LIG    1       -8.662   2.016  -3.237  0.00  0.00    -0.201 F 
ATOM     33  O   LIG    1       -6.806  -0.405  -3.894  0.00  0.00    -0.265 OA
ATOM     34  C   LIG    1       -5.292   0.534  -0.190  0.00  0.00    +0.092 A 
ATOM     35  C   LIG    1       -4.765   0.834   1.066  0.00  0.00    +0.030 A 
ATOM     36  C   LIG    1       -3.712   0.059   1.561  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4