REMARK  Name = BDB023984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.761   4.876  -1.773  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.797   3.735  -1.575  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.198   2.696  -0.747  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.196   1.642  -0.495  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.864   0.401  -0.014  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.373  -0.923   0.150  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -2.357  -1.742   0.559  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -3.447  -0.961   0.682  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -3.192   0.337   0.354  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.134   1.482   0.312  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.324   2.792   0.206  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.707   3.743  -2.149  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.026  -1.438  -0.089  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.105  -0.719   0.312  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        2.390  -1.221   0.064  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        2.548  -2.466  -0.558  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        1.424  -3.194  -0.948  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        0.146  -2.682  -0.715  0.00  0.00    +0.010 A 
BRANCH  15  19
ATOM     19  C   LIG    1        3.559  -0.415   0.513  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        4.671  -0.486  -0.304  0.00  0.00    -0.279 N 
ATOM     21  H   LIG    1        4.616  -0.985  -1.181  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        3.453   0.262   1.530  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.858   0.172  -0.046  0.00  0.00    +0.072 A 
ATOM     24  C   LIG    1        6.948   0.144  -0.885  0.00  0.00    +0.131 A 
ATOM     25  N   LIG    1        7.907   0.906  -0.281  0.00  0.00    -0.273 N 
ATOM     26  C   LIG    1        9.233   1.187  -0.777  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.522   1.422   0.898  0.00  0.00    -0.178 NA
ATOM     28  C   LIG    1        6.268   0.977   1.040  0.00  0.00    +0.157 A 
ENDBRANCH  20  23
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -4.721  -1.538   1.083  0.00  0.00    +0.135 C 
ATOM     30  C   LIG    1       -5.441  -2.192  -0.092  0.00  0.00    +0.186 C 
ATOM     31  O   LIG    1       -5.529  -3.605   0.165  0.00  0.00    -0.378 OA
ATOM     32  C   LIG    1       -4.634  -3.901   1.244  0.00  0.00    +0.162 C 
ATOM     33  C   LIG    1       -4.616  -2.659   2.104  0.00  0.00    +0.057 C 
ENDBRANCH   8  29
TORSDOF 4