REMARK  Name = BDB039026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.043   0.869   1.038  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.008   0.086   0.560  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.654   0.605   0.715  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.597  -0.148  -0.056  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.904  -1.305  -0.808  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.906  -1.975  -1.527  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.576  -1.546  -1.506  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.275  -0.411  -0.744  0.00  0.00    +0.070 A 
ATOM      9  N   LIG    1       -0.893   0.280  -0.479  0.00  0.00    -0.320 N 
ATOM     10  C   LIG    1       -0.574   1.362   0.328  0.00  0.00    +0.142 A 
ATOM     11  N   LIG    1        0.709   1.344   0.633  0.00  0.00    -0.227 NA
ATOM     12  C   LIG    1        4.331  -1.787  -0.884  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.252   0.278  -0.033  0.00  0.00    +0.095 A 
ATOM     14  C   LIG    1        5.142  -1.347   0.331  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.904   2.018   1.441  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.509   2.368   0.826  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.196   3.216  -0.044  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1       -3.068   4.145   0.497  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -3.290   4.283   1.821  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1       -2.587   3.476   2.644  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -1.694   2.516   2.200  0.00  0.00    +0.031 A 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.336   1.008   1.492  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.243   0.225   1.013  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.246  -0.098  -0.904  0.00  0.00    +0.091 C 
ATOM     25  C   LIG    1       -2.405  -0.010  -2.425  0.00  0.00    +0.031 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -2.664  -1.462  -0.317  0.00  0.00    +0.060 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.153  -1.707  -0.393  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -4.684  -2.583  -1.349  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.062  -2.794  -1.426  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.920  -2.133  -0.550  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.402  -1.262   0.406  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.026  -1.049   0.486  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   9  24
TORSDOF 5