REMARK  Name = BDB002041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.746   1.068   1.819  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1        3.135  -0.157   1.206  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1        1.814   0.007   0.739  0.00  0.00    -0.184 N 
ATOM      4  C   LIG    1        1.007  -0.951   0.103  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -0.196  -0.321  -0.120  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1       -0.036   0.999   0.404  0.00  0.00    +0.184 A 
ATOM      7  N   LIG    1       -1.032   1.918   0.365  0.00  0.00    -0.231 NA
ATOM      8  C   LIG    1       -2.168   1.441  -0.221  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -2.350   0.134  -0.754  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -3.321   2.406  -0.300  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -1.338  -0.848  -0.737  0.00  0.00    -0.035 A 
ATOM     12  C   LIG    1       -1.546  -2.210  -1.306  0.00  0.00    +0.044 C 
ATOM     13  N   LIG    1        1.175   1.197   0.915  0.00  0.00    -0.142 NA
ATOM     14  O   LIG    1        3.699  -1.244   1.107  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   4  15
ATOM     15  N   LIG    1        1.453  -2.203  -0.178  0.00  0.00    -0.342 N 
ATOM     16  H   LIG    1        2.354  -2.514   0.205  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        0.815  -2.971  -0.361  0.00  0.00    +0.144 HD
ENDBRANCH   4  15
TORSDOF 1