REMARK  Name = BDB014888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.643  -3.434   2.315  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.311  -2.800   1.120  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.537  -1.953   0.335  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -3.066  -1.893   0.457  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.530  -0.674  -0.205  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.214  -0.142  -0.272  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.197   0.972  -1.011  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.474   1.186  -1.368  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -3.303   0.190  -0.951  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.756   0.030  -1.198  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.139  -1.436  -0.913  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.497  -3.031   0.884  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.880   2.297  -2.235  0.00  0.00    +0.159 C 
ATOM     14  C   LIG    1       -3.878   3.248  -1.572  0.00  0.00    +0.189 C 
ATOM     15  O   LIG    1       -3.083   4.396  -1.974  0.00  0.00    -0.375 OA
ATOM     16  C   LIG    1       -1.946   3.512  -2.196  0.00  0.00    +0.189 C 
ENDBRANCH   8  13
BRANCH   6  17
ATOM     17  N   LIG    1       -0.161  -0.737   0.344  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1       -0.347  -1.569   0.888  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.212  -0.401   0.382  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.773   0.679  -0.310  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        3.147   0.976  -0.235  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        3.995   0.181   0.552  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.442  -0.902   1.248  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        2.074  -1.185   1.163  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.418   0.440   0.682  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        6.403  -0.507   0.492  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        7.591   0.130   0.709  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        8.914  -0.438   0.611  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.450   1.421   1.053  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.129   1.615   1.021  0.00  0.00    +0.142 A 
ENDBRANCH  22  25
BRANCH  21  31
ATOM     31  C   LIG    1        3.632   2.089  -1.001  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        4.006   2.997  -1.621  0.00  0.00    -0.191 NA
ENDBRANCH  21  31
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 5