REMARK  Name = BDB018877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.062  -0.873   0.242  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -0.663  -0.981   0.231  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.107   0.169   0.155  0.00  0.00    +0.041 A 
ATOM      4  N   LIG    1        1.513   0.286   0.128  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1        1.849   1.721   0.137  0.00  0.00    +0.118 C 
ATOM      6  C   LIG    1        0.546   2.505  -0.043  0.00  0.00    +0.057 C 
ATOM      7  C   LIG    1        2.415  -0.770   0.187  0.00  0.00    +0.241 C 
ATOM      8  O   LIG    1        2.076  -1.956   0.229  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -0.490   1.430   0.087  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.876   1.581   0.084  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1       -2.648   0.408   0.163  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.582  -5.576   0.854  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1       -3.621  -4.123   0.596  0.00  0.00    +0.128 A 
ATOM     14  N   LIG    1       -2.507  -3.330   0.600  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -1.561  -3.626   0.783  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -2.927  -2.051   0.327  0.00  0.00    +0.162 A 
ATOM     17  N   LIG    1       -4.239  -2.084   0.172  0.00  0.00    -0.129 NA
ATOM     18  N   LIG    1       -4.671  -3.379   0.335  0.00  0.00    -0.135 NA
ENDBRANCH   1  16
BRANCH  10  19
ATOM     19  C   LIG    1       -2.522   2.893  -0.010  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -2.503   3.785   1.073  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -3.118   5.036   0.981  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.764   5.410  -0.196  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.797   4.534  -1.278  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.182   3.284  -1.185  0.00  0.00    +0.008 A 
ENDBRANCH  10  19
BRANCH   7  25
ATOM     25  C   LIG    1        3.908  -0.388   0.142  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1        4.804  -1.442   0.714  0.00  0.00    -0.258 N 
ATOM     27  C   LIG    1        5.446  -2.188  -0.399  0.00  0.00    +0.117 C 
ATOM     28  C   LIG    1        4.799  -1.659  -1.670  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        4.387  -0.244  -1.302  0.00  0.00    +0.034 C 
BRANCH  26  30
ATOM     30  C   LIG    1        4.730  -1.883   1.975  0.00  0.00    +0.170 C 
ATOM     31  N   LIG    1        4.675  -2.242   3.074  0.00  0.00    -0.174 NA
ENDBRANCH  26  30
ENDBRANCH   7  25
TORSDOF 4