REMARK  Name = BDB023868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.827   0.552  -1.715  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -1.275   0.012  -0.478  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.801  -1.165   0.309  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -1.786  -1.500   1.359  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.402  -0.361   2.070  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.159   0.586   1.117  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -1.745  -2.794   1.857  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -0.989  -3.658   1.411  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.688  -3.130   2.984  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.337   0.811  -0.099  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.477   1.761  -1.065  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -1.588   1.606  -2.065  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        3.170  -0.974  -0.964  0.00  0.00    +0.228 A 
ATOM     14  O   LIG    1        3.537  -1.163  -2.271  0.00  0.00    -0.435 OA
ATOM     15  C   LIG    1        2.446  -0.761  -2.984  0.00  0.00    +0.156 A 
ATOM     16  C   LIG    1        1.467  -0.355  -2.088  0.00  0.00    +0.119 A 
ATOM     17  C   LIG    1        0.240   0.104  -2.600  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        0.087   0.145  -4.004  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        1.105  -0.278  -4.867  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.321  -0.750  -4.369  0.00  0.00    +0.048 A 
ATOM     21  N   LIG    1        1.951  -0.490  -0.805  0.00  0.00    -0.208 NA
BRANCH  13  25
ATOM     22  C   LIG    1        6.028  -1.992   2.065  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        6.355  -2.152   0.719  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.426  -1.821  -0.277  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        4.157  -1.326   0.054  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        3.840  -1.169   1.410  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        4.767  -1.498   2.403  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        8.118  -2.818   2.838  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.837  -2.275   3.130  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  13  25
ENDBRANCH   1  17
BRANCH  11  30
ATOM     30  C   LIG    1       -3.419   2.869  -1.155  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.142   3.960  -0.110  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -4.418   4.695   0.277  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -5.247   4.857  -0.867  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.797   3.630  -1.348  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -4.882   2.427  -1.136  0.00  0.00    +0.055 C 
ENDBRANCH  11  30
TORSDOF 4