REMARK  Name = BDB018782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.040   0.774   0.207  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -0.944  -0.127  -0.373  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.219  -0.266   0.169  0.00  0.00    +0.096 A 
ATOM      4  N   LIG    1       -3.123  -1.177  -0.377  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -2.841  -1.837  -1.091  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -4.398  -1.288   0.118  0.00  0.00    +0.263 C 
ATOM      7  C   LIG    1       -4.812  -0.159   1.089  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1       -5.964  -0.631   1.998  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1       -7.232  -0.067   1.428  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -6.899   0.584   0.142  0.00  0.00    +0.121 C 
ATOM     11  O   LIG    1       -3.771   0.364   1.914  0.00  0.00    -0.457 OA
ATOM     12  C   LIG    1       -5.447   0.996   0.301  0.00  0.00    +0.079 C 
ATOM     13  O   LIG    1       -5.147  -2.172  -0.286  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1       -2.560   0.493   1.286  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -1.720   1.364   1.874  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1       -0.488   1.486   1.321  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  20
ATOM     17  N   LIG    1        4.157  -1.110  -0.706  0.00  0.00    -0.261 N 
ATOM     18  C   LIG    1        3.512   0.096  -0.855  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        2.235  -0.100  -0.330  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        1.305   0.967  -0.333  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1        1.722   2.203  -0.864  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.007   2.376  -1.378  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        2.244  -1.444   0.113  0.00  0.00    +0.143 A 
ATOM     24  C   LIG    1        3.926   1.325  -1.385  0.00  0.00    +0.028 A 
ATOM     25  N   LIG    1        3.399  -2.066  -0.128  0.00  0.00    -0.178 NA
BRANCH  17  26
ATOM     26  C   LIG    1        5.504  -1.451  -1.134  0.00  0.00    +0.172 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.545  -1.109  -0.072  0.00  0.00    +0.182 C 
BRANCH  27  29
ATOM     28  C   LIG    1        8.008   0.496  -1.047  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1        6.940   0.266  -0.137  0.00  0.00    -0.381 OA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  17  26
ENDBRANCH   1  20
BRANCH   9  30
ATOM     30  C   LIG    1       -8.450  -0.535   1.733  0.00  0.00    +0.169 C 
ATOM     31  N   LIG    1       -9.502  -0.939   1.993  0.00  0.00    -0.174 NA
ENDBRANCH   9  30
TORSDOF 5