REMARK  Name = BDB036726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.662  -0.499  -0.482  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        2.333  -0.311  -0.881  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        0.952  -0.399  -0.415  0.00  0.00    +0.150 C 
ATOM      4  N   LIG    1        0.206   0.074  -1.623  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        1.084   0.396  -2.807  0.00  0.00    +0.075 C 
ATOM      6  C   LIG    1        0.968   1.864  -3.220  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1        0.850  -0.554  -3.985  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.166   0.135  -1.709  0.00  0.00    +0.303 C 
ATOM      9  N   LIG    1       -1.824  -0.172  -0.543  0.00  0.00    -0.295 N 
ATOM     10  H   LIG    1       -1.387   0.228   0.276  0.00  0.00    +0.151 HD
ATOM     11  O   LIG    1       -1.766   0.420  -2.741  0.00  0.00    -0.253 OA
ATOM     12  C   LIG    1        2.388   0.123  -2.169  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        3.686   0.179  -2.519  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1        4.116   0.457  -3.396  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        4.487  -0.220  -1.507  0.00  0.00    -0.158 NA
ENDROOT
BRANCH   1  16
ATOM     16  N   LIG    1        3.997  -0.955   0.746  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1        3.252  -1.117   1.409  0.00  0.00    +0.155 HD
BRANCH  16  21
ATOM     18  C   LIG    1        8.075   1.546   1.423  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1        7.163   0.427   1.816  0.00  0.00    +0.128 A 
ATOM     20  N   LIG    1        6.020   0.288   1.123  0.00  0.00    -0.218 NA
ATOM     21  C   LIG    1        5.213  -0.740   1.437  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        5.547  -1.626   2.446  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        6.736  -1.404   3.099  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        7.561  -0.387   2.809  0.00  0.00    -0.240 NA
ENDBRANCH  16  21
ENDBRANCH   1  16
BRANCH   9  25
ATOM     25  C   LIG    1       -3.286  -0.044  -0.458  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.824  -1.006   0.630  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -3.373  -2.460   0.355  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -4.319  -3.497   0.950  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1       -4.919  -2.990   2.135  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -5.827  -1.923   1.868  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1       -5.351  -0.982   0.757  0.00  0.00    +0.033 C 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -3.637   1.458  -0.237  0.00  0.00    +0.106 C 
BRANCH  32  33
ATOM     33  N   LIG    1       -2.893   2.031   0.914  0.00  0.00    -0.307 NA
ATOM     34  C   LIG    1       -2.245   3.289   0.530  0.00  0.00    +0.104 C 
ATOM     35  C   LIG    1       -3.780   2.270   2.055  0.00  0.00    +0.104 C 
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH   9  25
TORSDOF 6