REMARK  Name = BDB003969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.738  -0.983   1.455  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -1.945  -1.681   1.312  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.890  -0.802   0.773  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -4.188  -1.205   0.533  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -4.521  -2.530   0.838  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.563  -3.414   1.370  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -2.256   0.436   0.564  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1       -2.254  -2.991   1.615  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.910   0.331   0.978  0.00  0.00    +0.331 A 
ATOM     10  O   LIG    1       -0.060   1.205   0.909  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.829   1.645  -0.002  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -3.988   2.207   0.839  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -4.355   1.718   1.909  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -4.603   3.373   0.428  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.195   3.733   1.167  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.138   4.376  -0.389  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -4.363   5.550  -0.099  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.322   4.008  -1.608  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -3.739   2.673  -2.207  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -3.143   1.460  -1.492  0.00  0.00    +0.035 C 
ENDBRANCH   7  11
BRANCH   1  21
ATOM     21  C   LIG    1        0.512  -1.534   1.914  0.00  0.00    +0.128 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.309  -2.160   0.770  0.00  0.00    +0.040 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.596  -2.826   1.253  0.00  0.00    +0.109 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.340  -1.030   1.155  0.00  0.00    +0.401 C 
ATOM     25  N   LIG    1        3.541  -1.900   1.838  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1        3.639  -1.839   2.843  0.00  0.00    +0.152 HD
ATOM     27  O   LIG    1        5.102  -0.277   1.744  0.00  0.00    -0.226 OA
BRANCH  24  28
ATOM     28  O   LIG    1        4.172  -1.114  -0.184  0.00  0.00    -0.445 OA
BRANCH  28  30
ATOM     29  C   LIG    1        4.508   1.238  -0.831  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        4.888  -0.226  -1.079  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1        4.412  -0.625  -2.484  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        6.402  -0.449  -0.993  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7