REMARK  Name = BDB033090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.823   1.133  -0.731  0.00  0.00    -0.295 N 
ATOM      2  C   LIG    1       -0.664   2.499  -0.884  0.00  0.00    +0.218 C 
ATOM      3  O   LIG    1       -1.188   3.205  -1.731  0.00  0.00    -0.276 OA
ATOM      4  C   LIG    1        0.242   2.996   0.218  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1        0.867   1.712   0.764  0.00  0.00    +0.099 C 
ATOM      6  C   LIG    1       -0.206   0.658   0.487  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.120   1.405   0.082  0.00  0.00    -0.306 N 
ATOM      8  H   LIG    1        2.214   1.636  -0.906  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        2.988   0.451   0.564  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.835  -0.077   1.662  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1        4.136   0.065  -0.318  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1        4.281   0.469  -1.653  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        5.383   0.053  -2.405  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        6.352  -0.771  -1.830  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        6.235  -1.180  -0.498  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        7.255  -2.094   0.113  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        5.119  -0.769   0.244  0.00  0.00    +0.020 A 
BRANCH  12  18
ATOM     18  O   LIG    1        3.341   1.268  -2.254  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        3.602   1.421  -3.180  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   9  11
ENDBRANCH   5   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.809   0.349  -1.450  0.00  0.00    +0.146 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -5.570   0.146   0.677  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.665  -0.915   0.772  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1       -3.439  -0.871   0.090  0.00  0.00    +0.128 A 
ATOM     24  C   LIG    1       -3.122   0.245  -0.707  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.034   1.309  -0.788  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.247   1.256  -0.103  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -7.182  -0.882   2.096  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -6.790   0.223   1.292  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  23  29
ATOM     29  O   LIG    1       -2.489  -1.858   0.136  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1       -2.719  -2.959   1.005  0.00  0.00    +0.277 C 
ENDBRANCH  23  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7