REMARK  Name = BDB013998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.027   0.958   0.259  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.077   0.633  -0.763  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.198  -0.024  -1.773  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.364   1.088  -0.452  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.600   2.286   0.315  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.662   3.344   0.368  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.923   4.475   1.166  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.106   4.585   1.889  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.048   3.570   1.815  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.592   3.353  -0.469  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.799   2.439   1.033  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.619   2.341   0.011  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.954  -0.342   1.145  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.050  -0.080   0.147  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.015  -0.650  -0.694  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.021   0.345   2.166  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.940  -1.505   0.857  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.206  -2.797   0.510  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.148  -2.035   1.728  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.764  -1.741   2.064  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.727  -0.888   2.635  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.474   0.529  -1.239  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.563  -1.000  -1.274  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -2.562  -1.678  -2.525  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -2.461  -0.950  -3.841  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -2.643  -3.081  -2.565  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.738  -3.823  -1.397  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -2.761  -3.173  -0.170  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -2.682  -1.771  -0.087  0.00  0.00    -0.046 A 
ATOM     30  C   LIG    1       -2.745  -1.160   1.286  0.00  0.00    +0.044 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5