REMARK  Name = BDB032779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.957  -0.215   0.030  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.864   0.417  -0.545  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.763   1.576  -0.897  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.812  -0.597  -0.687  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.337  -1.822  -0.281  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.554  -2.961  -0.316  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.234  -2.841  -0.769  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.291  -1.596  -1.190  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.515  -0.450  -1.140  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.760  -1.655   0.130  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.387   2.985  -0.675  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.412   2.274  -0.447  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.951   1.385  -1.385  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.441   1.381  -2.269  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.993   0.410  -1.226  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.819  -0.436  -2.102  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.286   0.377   0.138  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.292   1.764   0.780  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.725   2.259   0.898  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.722  -1.498  -1.659  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.599  -1.545  -0.529  0.00  0.00    -0.446 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.033  -0.344  -0.079  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        3.844  -0.544   0.993  0.00  0.00    -0.277 N 
ATOM     24  H   LIG    1        4.085  -1.504   1.191  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.752   0.742  -0.561  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.595   0.519   1.608  0.00  0.00    +0.142 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.021   0.521   1.120  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.028  -0.129   1.846  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        8.343  -0.140   1.377  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.661   0.491   0.175  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.666   1.132  -0.560  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.351   1.145  -0.092  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6