REMARK  Name = BDB031534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.050   0.550   0.828  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  12
ATOM      2  C   LIG    1       -7.798   0.497  -0.706  0.00  0.00    +0.049 C 
ATOM      3  C   LIG    1       -6.365   0.390  -0.292  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -6.068  -0.540   0.846  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -6.953  -1.178   1.406  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -4.757  -0.646   1.236  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1       -4.570  -1.278   2.003  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -3.717   0.062   0.624  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.990   0.925  -0.435  0.00  0.00    +0.088 A 
ATOM     10  N   LIG    1       -3.048   1.645  -1.080  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -1.775   1.488  -0.646  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1       -1.395   0.646   0.400  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1       -2.403  -0.077   1.051  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -5.370   1.073  -0.884  0.00  0.00    +0.038 A 
ENDBRANCH   1  12
BRANCH   1  15
ATOM     15  N   LIG    1        0.516  -0.845   0.917  0.00  0.00    -0.288 NA
ATOM     16  C   LIG    1        0.827  -1.383  -0.429  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1        0.368  -2.829  -0.564  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        2.342  -1.171  -0.175  0.00  0.00    +0.204 C 
ATOM     19  C   LIG    1        1.943  -0.877   1.287  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  O   LIG    1        2.937  -0.085  -0.927  0.00  0.00    -0.486 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.239   0.268  -0.679  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        5.115  -0.421   0.159  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        6.426   0.040   0.332  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        6.864   1.189  -0.335  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        5.986   1.875  -1.177  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.679   1.413  -1.348  0.00  0.00    +0.047 A 
BRANCH  24  27
ATOM     27  C   LIG    1        8.207   1.658  -0.155  0.00  0.00    +0.099 C 
ATOM     28  N   LIG    1        9.294   2.037  -0.007  0.00  0.00    -0.191 NA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  15
TORSDOF 5