REMARK  Name = BDB062215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.833  -1.077   0.614  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.550  -2.401   0.556  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.666  -2.832   0.764  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -2.684  -3.089   0.277  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -2.837  -4.288   0.161  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -3.692  -2.001   0.158  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -4.970  -2.252  -0.151  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -3.084  -0.786   0.398  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -6.047  -1.262  -0.305  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -6.140  -0.117   0.500  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -7.209   0.735   0.306  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -7.444   1.884   0.996  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -8.665   2.329   0.371  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -9.139   1.442  -0.663  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -8.176   0.483  -0.637  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -8.131  -0.636  -1.437  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -7.058  -1.517  -1.262  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.894  -0.143   0.923  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.276   0.791   1.029  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1        3.313  -0.129   0.241  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        2.467  -0.971  -0.496  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.080  -0.987  -0.298  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.482  -0.150   0.644  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        1.317   0.696   1.383  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        2.706   0.705   1.185  0.00  0.00    +0.025 A 
BRANCH  20  30
ATOM     26  C   LIG    1        8.408   1.727  -0.460  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1        6.958   1.718  -0.636  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1        6.244   1.685   0.661  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1        5.636   0.315   1.033  0.00  0.00    +0.120 C 
ATOM     30  N   LIG    1        4.691  -0.158   0.000  0.00  0.00    -0.327 N 
ATOM     31  C   LIG    1        5.049   0.237  -1.387  0.00  0.00    +0.120 C 
ATOM     32  C   LIG    1        6.549   0.592  -1.506  0.00  0.00    +0.103 C 
ENDBRANCH  20  30
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4