REMARK  Name = BDB048418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.348  -1.796  -0.778  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.669  -0.951   0.135  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1       -2.661  -1.039   1.107  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -1.337  -1.327   0.755  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.976  -1.525  -0.577  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.956  -1.430  -1.559  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.281  -1.142  -1.206  0.00  0.00    +0.008 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -5.149  -0.619   0.489  0.00  0.00    -0.009 C 
ATOM      9  C   LIG    1       -6.063  -1.629  -0.248  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -5.427  -0.793   1.995  0.00  0.00    +0.016 C 
BRANCH   8  11
ATOM     11  C   LIG    1       -5.393   0.852   0.002  0.00  0.00    +0.017 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.981   0.952   0.108  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1       -6.662   1.690   0.361  0.00  0.00    -0.037 C 
ATOM     14  C   LIG    1       -6.631   2.205   1.812  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -6.646   2.941  -0.556  0.00  0.00    +0.010 C 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        0.775  -1.987  -2.128  0.00  0.00    +0.257 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.284  -2.255  -2.122  0.00  0.00    +0.200 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.025  -1.204  -1.485  0.00  0.00    -0.378 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.248  -0.064  -2.307  0.00  0.00    +0.142 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.743   1.111  -1.444  0.00  0.00    -0.047 C 
BRANCH  20  21
ATOM     21  N   LIG    1        5.151   0.930  -0.805  0.00  0.00    +0.380 N 
ATOM     22  C   LIG    1        6.211   0.766  -1.879  0.00  0.00    -0.092 C 
ATOM     23  C   LIG    1        5.446   2.209  -0.021  0.00  0.00    -0.092 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.147  -0.296   0.150  0.00  0.00    -0.040 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.316  -0.410   1.103  0.00  0.00    -0.063 A 
ATOM     26  C   LIG    1        7.511  -1.030   0.706  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        8.590  -1.119   1.586  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.487  -0.596   2.873  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.303   0.009   3.286  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.221   0.099   2.409  0.00  0.00    +0.002 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 12