REMARK  Name = BDB017315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.407   0.457  -1.580  0.00  0.00    +0.143 C 
ATOM      2  N   LIG    1       -1.970  -0.298  -0.420  0.00  0.00    -0.286 NA
ATOM      3  C   LIG    1       -3.113   0.461   0.140  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -2.791   1.943   0.436  0.00  0.00    +0.100 C 
ATOM      5  N   LIG    1       -2.326   2.645  -0.773  0.00  0.00    -0.296 NA
ATOM      6  C   LIG    1       -1.131   1.960  -1.294  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.212   4.084  -0.501  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -0.805   4.629  -0.168  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -1.166   5.838  -1.066  0.00  0.00    +0.003 C 
ATOM     10  C   LIG    1       -2.130   4.889  -1.820  0.00  0.00    +0.019 C 
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.121  -0.195  -2.114  0.00  0.00    +0.181 C 
ATOM     12  O   LIG    1       -0.070  -0.568  -3.290  0.00  0.00    -0.290 OA
BRANCH  11  18
ATOM     13  C   LIG    1        5.831  -1.412   0.316  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        4.661  -1.002   0.957  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        3.474  -0.796   0.229  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.467  -1.008  -1.166  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.280  -0.802  -1.891  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.098  -0.386  -1.257  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        1.115  -0.184   0.125  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.647  -1.421  -1.800  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        2.290  -0.386   0.859  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        5.816  -1.619  -1.063  0.00  0.00    +0.046 A 
BRANCH  13  24
ATOM     23  C   LIG    1        7.112  -1.453   2.320  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        7.039  -1.643   0.913  0.00  0.00    -0.495 OA
ENDBRANCH  13  24
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   2  25
ATOM     25  C   LIG    1       -2.401  -1.650  -0.835  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.734  -2.544   0.344  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -1.725  -2.952   1.229  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -2.025  -3.774   2.318  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -3.340  -4.197   2.534  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -4.351  -3.796   1.655  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1       -4.050  -2.975   0.566  0.00  0.00    +0.006 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -3.650  -5.037   3.653  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       -3.903  -5.715   4.561  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7