REMARK  Name = BDB015152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.882   2.167   1.371  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.639   1.514   1.496  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.634   2.032   2.318  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.867   3.216   3.025  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.088   3.878   2.916  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.089   3.355   2.095  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -8.197  -0.425  -2.125  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -6.777  -0.003  -2.204  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -5.986   0.534  -1.137  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.710   0.792  -1.647  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.682   1.327  -0.849  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.942   1.613   0.508  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -5.223   1.357   1.022  0.00  0.00    +0.009 A 
ATOM     14  N   LIG    1       -4.729   0.426  -2.977  0.00  0.00    -0.349 N 
ATOM     15  C   LIG    1       -3.606   0.528  -3.884  0.00  0.00    +0.149 C 
ATOM     16  C   LIG    1       -6.244   0.825   0.221  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -5.965  -0.052  -3.322  0.00  0.00    +0.089 A 
ENDBRANCH   1  12
BRANCH   3  18
ATOM     18  O   LIG    1        0.601   1.479   2.525  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.949   0.332   1.732  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.388  -0.051   2.121  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.216   1.117   1.968  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1        2.689   1.853   2.340  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.915  -1.202   1.232  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.064  -1.947   1.795  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.472  -3.061   0.913  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.288  -2.658  -0.298  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.997  -1.442  -0.320  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.762  -1.104  -1.444  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.845  -1.976  -2.530  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.165  -3.192  -2.500  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.880  -0.473   0.834  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.396  -3.534  -1.388  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.246  -1.114   2.076  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7