REMARK  Name = BDB048905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.460   0.763  -0.257  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        0.620   1.707   0.097  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        1.650   1.789  -1.051  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.343   0.510  -1.345  0.00  0.00    -0.291 NA
ATOM      5  C   LIG    1        1.521  -0.646  -0.902  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1       -0.003  -0.417  -1.033  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -5.315  -0.762   0.317  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1       -4.600  -0.352  -0.819  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -3.270   0.044  -0.674  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1       -2.633   0.031   0.593  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.361  -0.358   1.722  0.00  0.00    +0.080 A 
ATOM     12  N   LIG    1       -2.840  -0.363   2.952  0.00  0.00    -0.235 NA
ATOM     13  C   LIG    1       -1.570   0.040   3.064  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1       -0.769   0.427   2.067  0.00  0.00    -0.220 NA
ATOM     15  C   LIG    1       -1.292   0.408   0.827  0.00  0.00    +0.132 A 
ATOM     16  C   LIG    1       -4.684  -0.753   1.566  0.00  0.00    +0.078 A 
BRANCH   7  18
ATOM     17  C   LIG    1       -7.372  -1.569   1.233  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -6.617  -1.143   0.107  0.00  0.00    -0.491 OA
ENDBRANCH   7  18
BRANCH   8  19
ATOM     19  O   LIG    1       -5.282  -0.374  -2.009  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -4.591   0.055  -3.174  0.00  0.00    +0.277 C 
ENDBRANCH   8  19
ENDBRANCH   1  15
BRANCH   4  21
ATOM     21  C   LIG    1        3.693   0.481  -0.728  0.00  0.00    +0.181 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.552  -0.708  -1.183  0.00  0.00    +0.233 C 
ATOM     23  N   LIG    1        5.779  -0.955  -0.645  0.00  0.00    -0.264 N 
ATOM     24  H   LIG    1        6.208  -1.793  -1.017  0.00  0.00    +0.157 HD
ATOM     25  O   LIG    1        4.177  -1.505  -2.052  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1        6.576  -0.317   0.263  0.00  0.00    +0.164 A 
ATOM     27  S   LIG    1        6.201   1.167   1.004  0.00  0.00    -0.061 S 
ATOM     28  C   LIG    1        7.682   1.122   1.860  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1        8.368  -0.021   1.518  0.00  0.00    +0.120 A 
ATOM     30  N   LIG    1        7.733  -0.837   0.603  0.00  0.00    -0.233 NA
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6