REMARK  Name = BDB018100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.112   2.623  -0.081  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        3.053   2.268   1.411  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        1.805   1.495   1.821  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.556   2.044   1.293  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -0.628   1.609   1.878  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.624   0.767   2.779  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.635   2.927   0.128  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        1.770   2.522  -0.803  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.260   1.934  -0.819  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1        5.175   2.639  -1.255  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  N   LIG    1        3.970  -1.688  -1.129  0.00  0.00    -0.268 N 
ATOM     12  N   LIG    1        5.229  -1.542  -1.579  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        5.436  -0.226  -1.514  0.00  0.00    +0.145 A 
ATOM     14  C   LIG    1        4.325   0.490  -1.005  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        3.389  -0.497  -0.772  0.00  0.00    +0.120 A 
BRANCH  11  17
ATOM     16  C   LIG    1        3.280  -3.667  -2.438  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1        3.353  -3.009  -1.062  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1        4.064  -3.905  -0.050  0.00  0.00    +0.032 C 
ENDBRANCH  11  17
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -1.934   2.151   1.304  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.244   1.762   2.046  0.00  0.00    -0.020 C 
ATOM     21  C   LIG    1       -3.284   2.451   3.426  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -4.423   2.324   1.217  0.00  0.00    +0.012 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.460   0.234   2.251  0.00  0.00    +0.081 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.042  -0.623   1.073  0.00  0.00    +0.113 A 
ATOM     25  N   LIG    1       -1.759  -1.144   1.156  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -1.167  -0.893   1.944  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -1.146  -1.846   0.140  0.00  0.00    +0.261 A 
ATOM     28  O   LIG    1        0.033  -2.183   0.172  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -2.031  -2.094  -0.971  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1       -1.894  -2.790  -2.192  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -3.102  -2.677  -2.853  0.00  0.00    +0.088 A 
ATOM     32  N   LIG    1       -3.950  -1.929  -2.070  0.00  0.00    -0.335 N 
ATOM     33  C   LIG    1       -5.311  -1.579  -2.400  0.00  0.00    +0.150 C 
ATOM     34  C   LIG    1       -3.303  -1.566  -0.920  0.00  0.00    +0.148 A 
ATOM     35  N   LIG    1       -3.846  -0.809   0.066  0.00  0.00    -0.216 NA
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7