REMARK  Name = BDB003652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.518   1.239  -1.762  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -2.104   0.170  -1.109  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -3.422   0.193  -1.557  0.00  0.00    +0.097 A 
ATOM      4  N   LIG    1       -3.628   1.240  -2.431  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1       -2.466   1.832  -2.547  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.425  -0.666  -0.121  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.364  -1.501  -0.493  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        0.279  -2.294   0.459  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.142  -2.268   1.788  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.202  -1.448   2.167  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.842  -0.650   1.216  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   3  12
ATOM     12  C   LIG    1       -4.507  -0.701  -1.174  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.806  -0.185  -1.059  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -6.873  -1.010  -0.695  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.654  -2.364  -0.451  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.372  -2.894  -0.577  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.304  -2.068  -0.943  0.00  0.00    +0.010 A 
ENDBRANCH   3  12
BRANCH   1  18
ATOM     18  C   LIG    1       -0.154   1.719  -1.635  0.00  0.00    +0.132 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.050   2.553  -0.378  0.00  0.00    +0.119 C 
BRANCH  19  22
ATOM     20  N   LIG    1        1.777   3.485   1.020  0.00  0.00    -0.207 N 
ATOM     21  H   LIG    1        1.015   4.008   1.443  0.00  0.00    +0.177 HD
ATOM     22  C   LIG    1        1.504   2.938  -0.237  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        2.319   2.778  -1.141  0.00  0.00    -0.274 OA
BRANCH  20  25
ATOM     24  C   LIG    1        4.052   3.242   1.243  0.00  0.00    +0.138 C 
ATOM     25  N   LIG    1        3.008   4.021   1.293  0.00  0.00    -0.188 NA
BRANCH  24  29
ATOM     26  C   LIG    1        4.296  -1.018   0.958  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        3.350  -0.427   1.801  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        3.254   0.962   1.902  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        4.108   1.768   1.148  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1        5.077   1.188   0.327  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        5.163  -0.205   0.225  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        5.198  -3.037   0.086  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        4.270  -2.386   0.945  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  24  29
ENDBRANCH  20  25
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8