REMARK  Name = BDB041298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.486   0.217   0.229  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -1.941  -0.647   1.200  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.578  -0.980   1.128  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.093  -1.873   2.086  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -0.845  -2.397   3.080  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1       -2.149  -2.060   3.165  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        0.211  -0.417   0.098  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -0.317   0.406  -0.832  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1       -2.673  -1.217   2.248  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1       -1.631   0.706  -0.749  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -7.031   2.393   0.876  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.895   1.532   0.472  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -6.092   0.499  -0.354  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -4.872  -0.047  -0.503  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -4.717  -1.210  -1.348  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -3.892   0.602   0.210  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -4.539   1.639   0.852  0.00  0.00    +0.052 A 
ENDBRANCH   1  16
BRANCH   7  18
ATOM     18  N   LIG    1        1.582  -0.725   0.026  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        2.033  -0.468   0.899  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.281  -0.155  -1.123  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.742  -0.500  -1.030  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.634   0.227  -0.246  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.404   1.396   0.637  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.855   1.804   0.893  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.711   0.660   0.675  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.969  -0.147  -0.148  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.478  -1.247  -0.808  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.605  -1.985  -1.606  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.258  -1.612  -1.710  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.452  -2.353  -2.485  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4