REMARK  Name = BDB031621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.058  -1.699  -0.463  0.00  0.00    +0.134 C 
ATOM      2  N   LIG    1       -0.970  -0.368   0.127  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1        0.189   0.402  -0.011  0.00  0.00    +0.309 C 
ATOM      4  N   LIG    1        1.396  -0.249   0.174  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1        2.658   0.321  -0.095  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.670  -0.421   0.516  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        5.004  -0.066   0.383  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        5.318   1.055  -0.388  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        4.302   1.803  -1.001  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.102  -1.528   1.340  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        2.960   1.439  -0.855  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.619  -1.486   0.947  0.00  0.00    +0.120 C 
ATOM     13  O   LIG    1        0.102   1.616  -0.204  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -2.225   0.378   0.307  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -2.913   0.763  -1.018  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -2.438   0.583  -2.137  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -4.170   1.308  -0.880  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.617   1.535  -1.759  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -5.048   0.997   0.126  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -6.259   1.114  -0.030  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -4.443   0.521   1.427  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -3.234  -0.370   1.180  0.00  0.00    +0.041 C 
ENDBRANCH   2  14
TORSDOF 1