REMARK  Name = BDB047284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.034   1.323  -0.544  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -2.119   0.610   0.464  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -0.804   1.347   0.685  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.076   1.532  -0.568  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        1.306   1.396  -0.567  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.942   1.144   0.459  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.864   1.837  -1.764  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -2.269   2.324  -1.424  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -3.758   0.281  -1.402  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -3.370   0.023  -2.541  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  N   LIG    1       -6.550  -1.147   0.434  0.00  0.00    -0.268 N 
ATOM     12  N   LIG    1       -6.633  -1.914  -0.668  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -5.644  -1.464  -1.444  0.00  0.00    +0.145 A 
ATOM     14  C   LIG    1       -4.904  -0.422  -0.840  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -5.522  -0.244   0.382  0.00  0.00    +0.120 A 
BRANCH  11  17
ATOM     16  C   LIG    1       -7.191  -2.618   2.303  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -7.489  -1.330   1.536  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1       -8.943  -1.285   1.065  0.00  0.00    +0.032 C 
ENDBRANCH  11  17
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1        2.016   1.556  -1.906  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.531   1.351  -1.804  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.918  -0.104  -1.517  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.911  -0.205  -0.379  0.00  0.00    +0.112 A 
ATOM     23  N   LIG    1        4.405   0.094   0.877  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.446   0.420   0.976  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        5.155   0.067   2.036  0.00  0.00    +0.261 A 
ATOM     26  O   LIG    1        4.704   0.347   3.140  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        6.525  -0.322   1.796  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1        7.650  -0.493   2.634  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        8.700  -0.873   1.820  0.00  0.00    +0.088 A 
ATOM     30  N   LIG    1        8.239  -0.928   0.525  0.00  0.00    -0.335 N 
ATOM     31  C   LIG    1        9.027  -1.283  -0.631  0.00  0.00    +0.150 C 
ATOM     32  C   LIG    1        6.910  -0.597   0.501  0.00  0.00    +0.148 A 
ATOM     33  N   LIG    1        6.144  -0.552  -0.616  0.00  0.00    -0.216 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7