REMARK  Name = BDB052490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.015   1.326  -1.446  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -1.375   1.104  -1.215  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1       -2.388   1.901  -1.720  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -3.619   1.443  -1.344  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -3.391   0.387  -0.595  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -2.159   2.986  -2.490  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.846   3.220  -2.720  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.044   0.141  -0.507  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1       -1.607  -0.628  -0.027  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        0.226   2.458  -2.246  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1        1.971   3.029  -2.732  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   5  12
ATOM     12  N   LIG    1       -4.303  -0.422  -0.004  0.00  0.00    -0.299 N 
ATOM     13  C   LIG    1       -3.998  -1.236   1.180  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -5.171  -1.221   2.188  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -6.446  -1.715   1.630  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -7.570  -1.273   2.451  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1       -6.610  -1.311   0.214  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -5.724  -0.132  -0.250  0.00  0.00    +0.123 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     19  N   LIG    1        3.505  -0.841  -0.228  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1        3.256   0.602  -0.026  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        1.768   0.969   0.184  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        0.904   0.451  -0.896  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        1.537  -0.495  -1.828  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.446  -1.472  -1.047  0.00  0.00    +0.103 C 
BRANCH  19  25
ATOM     25  C   LIG    1        4.845  -1.114  -0.780  0.00  0.00    +0.143 C 
BRANCH  25  30
ATOM     26  C   LIG    1        8.662   1.188   1.733  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        7.586   0.353   1.175  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1        7.344  -0.823   1.812  0.00  0.00    -0.360 OA
ATOM     29  N   LIG    1        6.317  -1.492   1.171  0.00  0.00    -0.082 NA
ATOM     30  C   LIG    1        5.940  -0.701   0.156  0.00  0.00    +0.098 A 
ATOM     31  C   LIG    1        6.727   0.477   0.112  0.00  0.00    +0.072 A 
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4