REMARK  Name = BDB062000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.906  -0.189   0.403  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.323  -0.114   1.669  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.066  -0.022   1.816  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.900  -0.007   0.692  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.303  -0.076  -0.576  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.087  -0.169  -0.722  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.361   0.085   0.792  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1       -4.078  -0.144   1.945  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -3.687  -0.409   2.836  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -5.414   0.018   1.683  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -5.466   0.347   0.333  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1       -6.720   0.585  -0.265  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -7.873   0.476   0.535  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -7.783   0.142   1.889  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -6.545  -0.096   2.494  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -4.188   0.376  -0.197  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1       -6.858   0.943  -1.696  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -7.955   1.141  -2.204  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -5.713   1.047  -2.431  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -5.777   1.299  -3.406  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.801   0.892  -2.007  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  O   LIG    1        2.270  -0.274   0.409  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.922  -0.376  -0.856  0.00  0.00    +0.264 C 
BRANCH  23  27
ATOM     24  C   LIG    1        7.195  -0.522  -0.199  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        6.541  -1.590  -0.823  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        5.160  -1.546  -1.037  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        4.413  -0.436  -0.622  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1        5.072   0.626   0.016  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.453   0.584   0.231  0.00  0.00    +0.013 A 
BRANCH  24  33
ATOM     30  N   LIG    1        9.358   0.546   0.191  0.00  0.00    -0.325 N 
ATOM     31  H   LIG    1       10.366   0.459   0.196  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        8.973   1.444  -0.063  0.00  0.00    +0.145 HD
ATOM     33  C   LIG    1        8.666  -0.619   0.006  0.00  0.00    +0.242 C 
ATOM     34  O   LIG    1        9.251  -1.694  -0.024  0.00  0.00    -0.270 OA
ENDBRANCH  24  33
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6