REMARK  Name = BDB045965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.251   0.053   0.361  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -0.240  -0.789  -0.033  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -0.296  -1.794  -0.080  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        0.859  -0.048  -0.409  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        0.463   1.266  -0.205  0.00  0.00    +0.115 A 
ATOM      6  N   LIG    1       -0.844   1.304   0.256  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.067  -0.685  -0.920  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        2.744  -1.636  -0.141  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        3.864  -2.236  -0.679  0.00  0.00    +0.167 A 
ATOM     10  O   LIG    1        4.634  -3.173  -0.064  0.00  0.00    -0.453 OA
ATOM     11  C   LIG    1        5.639  -3.402  -1.074  0.00  0.00    +0.466 C 
ATOM     12  O   LIG    1        5.434  -2.630  -2.274  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        4.319  -1.927  -1.939  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        3.681  -1.001  -2.733  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        2.542  -0.377  -2.214  0.00  0.00    +0.014 A 
ENDBRANCH   4   7
BRANCH   1  19
ATOM     16  C   LIG    1       -5.157  -1.124   1.700  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -4.182  -2.098   1.456  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1       -2.902  -1.731   1.022  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -2.577  -0.383   0.814  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1       -3.567   0.583   1.052  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.848   0.222   1.486  0.00  0.00    +0.014 A 
BRANCH  16  25
ATOM     22  N   LIG    1       -7.285  -0.655   2.804  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -6.910   0.196   3.196  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -8.135  -1.019   3.216  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -6.499  -1.570   2.160  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1       -6.881  -2.723   2.004  0.00  0.00    -0.270 OA
ENDBRANCH  16  25
ENDBRANCH   1  19
BRANCH   5  27
ATOM     27  C   LIG    1        1.249   2.483  -0.410  0.00  0.00    +0.091 A 
ATOM     28  N   LIG    1        2.578   2.353  -0.643  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.295   3.485  -0.818  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        2.752   4.757  -0.772  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        1.390   4.879  -0.530  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        0.627   3.728  -0.344  0.00  0.00    +0.030 A 
ENDBRANCH   5  27
TORSDOF 4