REMARK  Name = BDB020462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.274  -1.162  -0.108  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -2.339  -0.570  -0.754  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -2.573  -0.091  -2.127  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -3.577   0.969  -2.141  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -4.576   1.104  -1.188  0.00  0.00    +0.236 C 
ATOM      6  C   LIG    1       -4.597   0.127  -0.030  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -5.451   1.971  -1.274  0.00  0.00    -0.274 OA
ATOM      8  N   LIG    1       -3.304  -0.463   0.206  0.00  0.00    -0.320 N 
ATOM      9  C   LIG    1       -2.815  -0.979   1.370  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.580  -1.401   1.211  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        3.610   0.129   0.780  0.00  0.00    +0.075 A 
ATOM     12  N   LIG    1        2.459   0.472   1.396  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1        1.310  -0.068   0.915  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        1.221  -0.942  -0.180  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.443  -1.276  -0.800  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        2.448  -2.146  -1.903  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        1.261  -2.684  -2.396  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        0.049  -2.356  -1.796  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        0.013  -1.485  -0.696  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        3.642  -0.735  -0.309  0.00  0.00    +0.037 A 
BRANCH  11  25
ATOM     21  C   LIG    1        8.326   1.456   1.686  0.00  0.00    +0.172 C 
ATOM     22  N   LIG    1        6.891   1.316   1.734  0.00  0.00    -0.274 N 
ATOM     23  N   LIG    1        6.195   1.985   2.669  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        4.930   1.626   2.429  0.00  0.00    +0.144 A 
ATOM     25  C   LIG    1        4.808   0.732   1.338  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.110   0.554   0.911  0.00  0.00    +0.118 A 
ENDBRANCH  11  25
ENDBRANCH   1  19
BRANCH   9  27
ATOM     27  C   LIG    1       -3.574  -1.058   2.724  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -3.450  -2.311   3.549  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -4.743  -1.998   2.855  0.00  0.00    +0.012 C 
ENDBRANCH   9  27
BRANCH   4  30
ATOM     30  C   LIG    1       -3.554   1.892  -3.280  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.734   3.150  -2.981  0.00  0.00    +0.174 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -1.343   2.833  -2.964  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -0.878   3.622  -2.634  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   4  30
TORSDOF 6