REMARK  Name = BDB002236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.136  -0.411  -1.599  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        0.810   0.176  -1.763  0.00  0.00    +0.164 A 
ATOM      3  N   LIG    1        0.515   1.147  -2.669  0.00  0.00    -0.203 NA
ATOM      4  C   LIG    1        1.604   1.479  -3.416  0.00  0.00    +0.244 A 
ATOM      5  C   LIG    1        2.906   0.891  -3.263  0.00  0.00    +0.244 A 
ATOM      6  N   LIG    1        3.743   1.444  -4.141  0.00  0.00    -0.027 NA
ATOM      7  O   LIG    1        2.964   2.367  -4.839  0.00  0.00    -0.238 OA
ATOM      8  N   LIG    1        1.644   2.390  -4.388  0.00  0.00    -0.027 NA
ATOM      9  N   LIG    1        3.214  -0.071  -2.352  0.00  0.00    -0.204 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        2.278  -1.435  -0.628  0.00  0.00    -0.324 N 
ATOM     11  H   LIG    1        1.647  -1.199   0.147  0.00  0.00    +0.148 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.636  -1.671  -0.132  0.00  0.00    +0.131 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.114  -0.534   0.782  0.00  0.00    +0.178 C 
BRANCH  13  15
ATOM     14  C   LIG    1        3.572   0.682   2.731  0.00  0.00    +0.194 C 
ATOM     15  O   LIG    1        3.182  -0.373   1.862  0.00  0.00    -0.381 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   2  16
ATOM     16  N   LIG    1       -0.222  -0.274  -0.874  0.00  0.00    -0.311 N 
ATOM     17  C   LIG    1       -0.835  -1.482  -1.444  0.00  0.00    +0.131 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -1.178   0.805  -0.572  0.00  0.00    +0.142 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.978   0.465   0.677  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -3.387   0.249   0.675  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1       -4.020  -0.055   1.903  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.402  -0.267   1.903  0.00  0.00    +0.119 A 
ATOM     23  N   LIG    1       -6.193  -0.206   0.809  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1       -5.578   0.081  -0.351  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -3.276  -0.144   3.091  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -1.902   0.062   3.083  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.213   0.309  -0.469  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -1.260   0.363   1.888  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7