REMARK  Name = BDB065372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.202  -2.076   0.090  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        3.045  -2.189   1.204  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        4.390  -1.811   1.131  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        4.925  -1.312  -0.063  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1        4.086  -1.195  -1.179  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        2.740  -1.574  -1.102  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -1.274  -2.913  -0.160  0.00  0.00    -0.251 N 
ATOM      8  N   LIG    1       -1.028  -3.241   1.118  0.00  0.00    -0.065 NA
ATOM      9  N   LIG    1        0.248  -2.972   1.354  0.00  0.00    -0.130 NA
ATOM     10  C   LIG    1        0.810  -2.478   0.202  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.156  -2.441  -0.781  0.00  0.00    +0.138 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -2.591  -3.102  -0.725  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.410  -1.812  -0.816  0.00  0.00    +0.023 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.823  -1.270   0.556  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.614   0.039   0.476  0.00  0.00    +0.011 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.977  -0.115  -0.190  0.00  0.00    +0.120 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.783   1.154  -0.068  0.00  0.00    +0.307 C 
ATOM     18  O   LIG    1       -7.760   1.280   0.656  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -6.269   2.121  -0.877  0.00  0.00    -0.465 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -6.285   4.344  -1.753  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1       -6.972   3.368  -0.817  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        6.375  -0.887  -0.133  0.00  0.00    +0.163 C 
BRANCH  22  23
ATOM     23  N   LIG    1        6.593   0.407   0.488  0.00  0.00    -0.278 N 
ATOM     24  C   LIG    1        7.074   0.495   1.770  0.00  0.00    +0.353 A 
ATOM     25  O   LIG    1        7.331  -0.511   2.427  0.00  0.00    -0.244 OA
ATOM     26  N   LIG    1        7.263   1.739   2.298  0.00  0.00    -0.159 NA
ATOM     27  C   LIG    1        6.981   2.778   1.592  0.00  0.00    +0.218 A 
ATOM     28  N   LIG    1        6.474   2.724   0.337  0.00  0.00    -0.205 NA
ATOM     29  C   LIG    1        6.305   1.556  -0.166  0.00  0.00    +0.207 A 
BRANCH  27  30
ATOM     30  N   LIG    1        7.170   4.011   2.118  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1        7.194   4.002   3.130  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        6.558   4.709   1.719  0.00  0.00    +0.145 HD
ENDBRANCH  27  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 12