REMARK  Name = BDB035081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.378  -0.742  -0.048  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.917   0.286   0.822  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.559   0.336   1.062  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.337   1.414   1.890  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.584   1.952   2.120  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.355  -0.583   0.504  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.088  -1.520  -0.290  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.559   1.250   1.456  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.443  -1.581  -0.540  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.245   1.283  -1.531  0.00  0.00    +0.436 C 
ATOM     11  N   LIG    1        4.551   0.015  -0.968  0.00  0.00    -0.164 N 
ATOM     12  C   LIG    1        3.743  -0.969  -0.381  0.00  0.00    +0.086 A 
ATOM     13  C   LIG    1        4.554  -2.070  -0.181  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        5.838  -1.676  -0.589  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        7.095  -2.463  -0.548  0.00  0.00    +0.067 C 
ATOM     16  N   LIG    1        5.852  -0.422  -1.041  0.00  0.00    -0.166 NA
ATOM     17  O   LIG    1        5.114   2.071  -1.882  0.00  0.00    -0.221 OA
BRANCH  10  19
ATOM     18  C   LIG    1        2.546   2.708  -2.248  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1        2.901   1.447  -1.683  0.00  0.00    -0.451 OA
ENDBRANCH  10  19
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1        1.893   3.097   2.923  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        2.099   4.031   3.581  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -1.692  -0.455   0.812  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.925   0.022   1.676  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.641  -1.503   0.475  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.037  -0.998   0.697  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.642  -0.085  -0.161  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.106   0.595  -1.366  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.406   1.182  -1.917  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.363   1.300  -0.839  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.922   0.393   0.088  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.656  -0.004   1.187  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.073  -0.925   2.058  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.781  -1.409   1.810  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.246  -2.275   2.682  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6