REMARK  Name = BDB030271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.790   1.120   0.029  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -0.826   1.357  -1.109  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.627   1.033  -0.967  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.658  -0.412  -0.762  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.780  -1.208  -0.555  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1        1.652  -2.430  -0.429  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.644  -1.043  -0.897  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -1.604   0.088  -1.059  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1       -5.995   0.090   1.421  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1       -4.712   0.258   1.062  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -4.324   1.484   0.532  0.00  0.00    -0.283 N 
ATOM     12  C   LIG    1       -5.187   2.559   0.370  0.00  0.00    +0.161 A 
ATOM     13  N   LIG    1       -4.534   3.570  -0.160  0.00  0.00    -0.129 NA
ATOM     14  N   LIG    1       -3.226   3.175  -0.349  0.00  0.00    -0.133 NA
ATOM     15  C   LIG    1       -6.535   2.390   0.791  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1       -3.113   1.931   0.067  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -6.925   1.206   1.305  0.00  0.00    +0.051 A 
BRANCH   9  19
ATOM     18  C   LIG    1       -7.228  -1.839   1.078  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -6.456  -1.067   1.998  0.00  0.00    -0.494 OA
ENDBRANCH   9  19
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  C   LIG    1        3.128  -0.597  -0.484  0.00  0.00    +0.147 A 
ATOM     21  N   LIG    1        3.402   0.713  -0.637  0.00  0.00    -0.169 NA
ATOM     22  N   LIG    1        4.732   0.804  -0.497  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        5.160   1.722  -0.576  0.00  0.00    +0.189 HD
ATOM     24  C   LIG    1        5.350  -0.391  -0.261  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.333  -1.320  -0.248  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        6.830  -0.508  -0.076  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1        7.167  -1.047   1.315  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        7.449  -1.389  -1.162  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   5  20
TORSDOF 4