REMARK  Name = BDB018780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.224  -0.320   0.272  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -0.361   0.682  -0.190  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        0.982   0.384  -0.401  0.00  0.00    +0.096 A 
ATOM      4  N   LIG    1        1.854   1.357  -0.889  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1        1.516   2.255  -1.213  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        3.188   1.088  -1.060  0.00  0.00    +0.263 C 
ATOM      7  C   LIG    1        3.667  -0.230  -0.411  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1        4.957  -0.726  -1.095  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1        6.102  -0.335  -0.208  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1        5.562   0.502   0.886  0.00  0.00    +0.121 C 
ATOM     11  O   LIG    1        2.720  -1.299  -0.403  0.00  0.00    -0.457 OA
ATOM     12  C   LIG    1        4.123   0.037   1.031  0.00  0.00    +0.079 C 
ATOM     13  O   LIG    1        3.922   1.907  -1.603  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1        1.430  -0.912  -0.154  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1        0.629  -1.901   0.286  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1       -0.670  -1.583   0.495  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1       -5.304   0.459   0.987  0.00  0.00    +0.215 A 
ATOM     18  N   LIG    1       -4.970  -0.142  -0.173  0.00  0.00    -0.218 NA
ATOM     19  C   LIG    1       -3.654  -0.391  -0.401  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.341  -1.056  -1.712  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -2.642  -0.052   0.514  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.038   0.574   1.705  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -4.384   0.833   1.946  0.00  0.00    +0.068 A 
BRANCH  17  25
ATOM     24  C   LIG    1       -7.515   0.312   0.238  0.00  0.00    +0.279 C 
ATOM     25  O   LIG    1       -6.627   0.736   1.267  0.00  0.00    -0.480 OA
ENDBRANCH  17  25
ENDBRANCH   1  21
BRANCH   9  26
ATOM     26  C   LIG    1        7.374  -0.285  -0.625  0.00  0.00    +0.169 C 
ATOM     27  N   LIG    1        8.473  -0.240  -0.984  0.00  0.00    -0.174 NA
ENDBRANCH   9  26
TORSDOF 3