REMARK  Name = BDB013153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.505  -0.324  -0.253  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.789  -0.136  -1.471  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.531   0.232  -1.374  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.961   0.409  -2.656  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.007   0.109  -3.493  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.194   0.396  -0.155  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.541   0.241   0.965  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.113  -0.233  -2.745  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.790  -0.123   0.879  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.870  -2.889  -1.670  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -3.488  -1.846  -0.814  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -2.885  -0.719  -0.203  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -3.913  -0.058   0.453  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -3.898   1.210   1.229  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1       -5.036  -0.828   0.236  0.00  0.00    -0.265 N 
ATOM     16  N   LIG    1       -4.788  -1.919  -0.519  0.00  0.00    -0.175 NA
BRANCH  15  17
ATOM     17  C   LIG    1       -6.417  -0.632   0.676  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1       -6.559  -0.409   2.182  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1       -7.130   0.446  -0.139  0.00  0.00    +0.032 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1        2.526   0.742  -0.118  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.734   1.059   0.828  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.525  -0.256  -0.491  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.888   0.367  -0.461  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.642   0.474   0.704  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.324   0.076   2.097  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        6.710   0.229   2.725  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        7.492   1.141   1.922  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        6.884   1.099   0.694  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        7.428   1.645  -0.451  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.692   1.545  -1.631  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        5.440   0.915  -1.627  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        4.754   0.847  -2.777  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5