REMARK  Name = BDB027541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.576   0.077   1.686  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.816  -0.678   0.816  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.576  -0.985   1.120  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.899  -2.196   0.238  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.027  -2.024  -0.965  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.286  -1.443  -0.333  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.146   0.548   2.734  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.691   0.767   0.739  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -4.678   1.337  -0.047  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -3.331   1.116   0.253  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.992   0.310   1.341  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.987  -0.246   2.144  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -5.334  -0.024   1.836  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -8.172   0.613   0.991  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1       -7.023   1.036   0.362  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -7.141   1.645  -0.435  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -8.264  -0.035   2.026  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -9.602   1.211  -0.989  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -9.428   1.071   0.333  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        2.295  -2.422  -0.102  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        2.831  -2.909   0.611  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.103  -1.383  -0.516  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        4.383  -1.479  -0.132  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.232  -0.508  -0.496  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        4.823   0.590  -1.255  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        5.729   1.603  -1.625  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        7.064   1.514  -1.237  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.489   0.413  -0.487  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        3.482   0.593  -1.597  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.565  -0.576  -0.117  0.00  0.00    +0.041 A 
ATOM     31  N   LIG    1        2.616  -0.373  -1.242  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  C   LIG    1        8.897   0.263  -0.036  0.00  0.00    +0.242 C 
ATOM     33  O   LIG    1        9.193  -0.436   0.923  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1        9.862   0.907  -0.759  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       10.817   0.681  -0.507  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1        9.702   1.235  -1.700  0.00  0.00    +0.145 HD
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6