REMARK  Name = BDB053480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.072   1.032  -0.653  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1       -0.857   2.451  -0.415  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -0.059   2.862   0.619  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.065   4.239   0.591  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -0.875   4.564  -0.484  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        0.552   1.916   1.415  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        0.353   0.607   1.155  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -1.366   3.445  -1.110  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1       -0.466   0.164   0.124  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        0.652   5.253   1.518  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        0.575   6.621   1.387  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1        1.340   7.144   2.390  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1        1.517   8.120   2.604  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1        1.912   6.208   3.164  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1        1.489   5.057   2.633  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.901   0.674  -1.701  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1       -2.207   1.480  -2.245  0.00  0.00    +0.154 HD
BRANCH  16  22
ATOM     18  C   LIG    1       -2.992  -4.233  -1.914  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1       -2.920  -2.789  -2.263  0.00  0.00    +0.049 A 
ATOM     20  N   LIG    1       -3.494  -2.376  -3.392  0.00  0.00    -0.214 NA
ATOM     21  S   LIG    1       -3.275  -0.741  -3.535  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1       -2.370  -0.536  -2.086  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1       -2.280  -1.774  -1.484  0.00  0.00    +0.055 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
BRANCH   7  24
ATOM     24  S   LIG    1        1.186  -0.514   2.216  0.00  0.00    -0.103 S 
BRANCH  24  25
ATOM     25  C   LIG    1        1.782  -1.753   1.017  0.00  0.00    +0.091 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.878  -2.996   1.011  0.00  0.00    +0.095 C 
BRANCH  26  27
ATOM     27  N   LIG    1        1.265  -4.103   0.115  0.00  0.00    -0.308 NA
ATOM     28  C   LIG    1        2.526  -4.726   0.506  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1        1.292  -3.711  -1.292  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 7