REMARK  Name = BDB032042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.107  -0.033  -0.177  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.366   0.170   0.260  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.312   0.019  -0.669  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -3.697   0.169  -0.499  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1       -4.330  -0.082  -1.741  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -3.303  -0.383  -2.657  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.472  -0.705  -4.045  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.526  -0.046  -1.979  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.086  -0.315  -1.983  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.796  -0.505  -2.352  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.203  -0.366  -1.454  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.316   0.523   0.775  0.00  0.00    +0.145 C 
ATOM     13  C   LIG    1       -5.349   1.657   0.754  0.00  0.00    +0.187 C 
ATOM     14  O   LIG    1       -6.275   0.859   1.541  0.00  0.00    -0.376 OA
ATOM     15  C   LIG    1       -5.502  -0.334   1.234  0.00  0.00    +0.187 C 
ENDBRANCH   4  12
BRANCH   1  16
ATOM     16  N   LIG    1        0.871   0.118   0.802  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1        0.416   0.367   1.668  0.00  0.00    +0.155 HD
BRANCH  16  20
ATOM     18  C   LIG    1        2.259   0.424   3.341  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        2.972   0.200   2.033  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        2.272   0.062   0.815  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.031  -0.157  -0.343  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.438  -0.226  -0.312  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.129  -0.078   0.902  0.00  0.00    +0.071 A 
ATOM     24  N   LIG    1        6.471  -0.135   0.983  0.00  0.00    -0.255 NA
ATOM     25  C   LIG    1        7.166  -0.342  -0.157  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        6.580  -0.499  -1.398  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.194  -0.440  -1.474  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        4.381   0.131   2.049  0.00  0.00    +0.033 A 
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 3