REMARK  Name = BDB025610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096  -1.674  -0.808  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.945   0.519   0.523  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -2.134  -0.325  -0.374  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -1.110  -1.105   0.198  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -0.993  -1.252   1.411  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -3.089  -1.101  -1.175  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -4.448  -1.004  -0.441  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -4.115  -0.370   0.909  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -0.269   2.642   2.200  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -1.102   1.941   1.257  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -0.706   1.688   0.361  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -2.253   1.288   1.662  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -2.755   1.433   2.773  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -5.332  -0.133  -1.145  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -5.622  -0.588  -1.955  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        0.928  -0.678  -1.079  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.271  -0.404  -2.352  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        2.164   0.579  -2.325  0.00  0.00    -0.126 NA
ATOM     19  C   LIG    1        2.379   0.929  -1.015  0.00  0.00    +0.149 A 
ATOM     20  C   LIG    1        1.600   0.128  -0.207  0.00  0.00    +0.142 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.272   1.984  -0.567  0.00  0.00    +0.182 A 
ATOM     22  N   LIG    1        4.012   2.617  -1.497  0.00  0.00    -0.234 NA
ATOM     23  C   LIG    1        4.822   3.594  -1.050  0.00  0.00    +0.115 A 
ATOM     24  C   LIG    1        4.916   3.957   0.272  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.116   3.253   1.141  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1        3.284   2.268   0.755  0.00  0.00    -0.234 NA
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1        0.449  -3.064  -0.384  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1        1.511  -3.041   0.719  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        1.001  -3.825  -1.596  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6