REMARK  Name = BDB048903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.901   0.030  -0.355  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -1.873   0.390   0.556  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -1.708   0.679   1.506  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.098   0.288  -0.044  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1       -2.808  -0.141  -1.330  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -3.755  -0.369  -2.267  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -5.018  -0.144  -1.845  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -5.385   0.287  -0.573  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -4.401   0.520   0.386  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1       -1.463  -0.295  -1.508  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.336  -0.050   0.362  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        2.812  -0.406  -0.877  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.428  -0.373  -1.090  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        0.541   0.014  -0.074  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        1.079   0.370   1.169  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.463   0.336   1.381  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.586  -0.424  -0.300  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.659  -0.037   0.707  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 2