REMARK  Name = BDB031640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.051  -1.209  -1.518  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.520  -1.288  -2.892  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.004  -1.600  -2.884  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.330  -2.863  -2.212  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.563  -3.160  -1.081  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.297  -1.937  -0.480  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.226   1.308  -0.525  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.375   0.954   0.467  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.356   0.137   0.108  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.510  -0.174   1.107  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.104  -0.365  -1.189  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.031   0.045  -2.160  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.097   0.886  -1.837  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        7.318   3.499   1.734  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.387   2.543   1.201  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        5.603   2.219   1.762  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.355   2.216  -0.138  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.158   2.627  -0.968  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.757  -3.073  -1.965  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.415  -2.153  -0.957  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -3.016  -0.952  -1.368  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -3.617  -0.103  -0.433  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -3.639  -0.433   0.934  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -4.281   0.509   1.843  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1       -4.427   0.388   3.320  0.00  0.00    +0.036 C 
ATOM     26  C   LIG    1       -4.895   1.794   3.721  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -5.460   2.451   2.457  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.841   1.633   1.384  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -4.834   1.992  -0.043  0.00  0.00    +0.253 A 
ATOM     30  O   LIG    1       -5.350   3.022  -0.460  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -3.055  -1.635   1.331  0.00  0.00    +0.133 A 
ATOM     32  F   LIG    1       -3.062  -2.008   2.619  0.00  0.00    -0.205 F 
ATOM     33  N   LIG    1       -4.210   1.094  -0.875  0.00  0.00    -0.322 N 
ATOM     34  H   LIG    1       -4.203   1.341  -1.855  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -2.454  -2.487   0.405  0.00  0.00    +0.044 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4