REMARK  Name = BDB064930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.468   1.266   0.028  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1       -1.074   1.106   0.044  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.258   1.683  -0.940  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.843   2.459  -1.938  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -2.225   2.644  -1.962  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.031   2.051  -0.991  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.120   1.422  -0.860  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1        1.431   0.789  -0.123  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.132   1.867  -1.687  0.00  0.00    +0.267 C 
ATOM     10  O   LIG    1        2.033   2.627  -2.644  0.00  0.00    -0.268 OA
BRANCH   9  11
ATOM     11  C   LIG    1        3.475   1.317  -1.309  0.00  0.00    +0.129 A 
ATOM     12  N   LIG    1        3.493   0.499  -0.227  0.00  0.00    -0.227 NA
ATOM     13  C   LIG    1        4.683  -0.025   0.113  0.00  0.00    +0.133 A 
ATOM     14  N   LIG    1        5.823   0.250  -0.554  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        5.750   1.075  -1.617  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.584   1.645  -2.050  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  C   LIG    1        4.749  -0.952   1.300  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        3.752  -2.080   1.448  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        5.180  -2.390   1.113  0.00  0.00    +0.012 C 
ENDBRANCH  13  17
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.726   1.713   2.132  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1       -3.386   0.651   1.075  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.890  -0.626   1.790  0.00  0.00    +0.084 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.460  -1.735   0.888  0.00  0.00    +0.134 A 
ATOM     24  N   LIG    1       -3.253  -2.431   0.013  0.00  0.00    -0.320 N 
ATOM     25  C   LIG    1       -4.659  -2.271  -0.236  0.00  0.00    +0.151 C 
ATOM     26  C   LIG    1       -2.443  -3.344  -0.589  0.00  0.00    +0.224 A 
ATOM     27  N   LIG    1       -1.229  -3.241  -0.105  0.00  0.00    -0.138 NA
ATOM     28  N   LIG    1       -1.239  -2.234   0.828  0.00  0.00    -0.135 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6