REMARK  Name = BDB032227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.199   1.032   0.316  0.00  0.00    +0.318 A 
ATOM      2  N   LIG    1        0.502   0.007   0.823  0.00  0.00    -0.203 NA
ATOM      3  C   LIG    1       -0.753   0.287   1.229  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -1.331   1.538   1.146  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -0.506   2.514   0.623  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1        0.753   2.293   0.196  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.475   0.710  -0.091  0.00  0.00    -0.462 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.201   1.821  -0.613  0.00  0.00    +0.233 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.589   1.336  -1.025  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.397   0.847   0.178  0.00  0.00    +0.078 C 
BRANCH  10  13
ATOM     11  C   LIG    1        6.098  -2.084  -0.448  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        7.018  -0.975  -0.521  0.00  0.00    -0.337 N 
ATOM     13  C   LIG    1        6.738   0.343  -0.247  0.00  0.00    +0.109 A 
ATOM     14  N   LIG    1        7.812   1.089  -0.422  0.00  0.00    -0.241 NA
ATOM     15  C   LIG    1        8.805   0.230  -0.813  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        8.334  -1.058  -0.882  0.00  0.00    +0.106 A 
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -2.704   1.864   1.647  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.606   0.716   1.645  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -4.269   0.776   2.415  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.280   0.293   0.479  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -5.244  -0.764   0.570  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -5.921  -1.207  -0.594  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -6.876  -2.240  -0.460  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1       -7.190  -2.826   0.708  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -6.525  -2.408   1.797  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -5.614  -0.610  -1.833  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.639   0.375  -1.932  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -5.564  -1.412   1.780  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -3.970   0.807  -0.790  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  N   LIG    1       -7.580  -2.745  -1.560  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -6.936  -3.096  -2.259  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -8.166  -3.492  -1.193  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 9