REMARK  Name = BDB029565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.724  -0.873  -0.593  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        3.504  -1.552  -0.665  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.379  -0.929  -1.216  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        1.087  -1.651  -1.307  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -0.040  -0.893  -1.645  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        0.043   0.562  -1.655  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        1.320   1.048  -2.321  0.00  0.00    +0.075 C 
ATOM      8  O   LIG    1        1.067  -2.863  -1.115  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.498   0.375  -1.682  0.00  0.00    +0.055 A 
ATOM     10  N   LIG    1        3.660   1.070  -1.630  0.00  0.00    -0.257 NA
ATOM     11  C   LIG    1        4.731   0.432  -1.085  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        5.827  -1.508   0.015  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1        5.746  -2.521  -0.050  0.00  0.00    +0.152 HD
BRANCH  12  18
ATOM     14  C   LIG    1        9.268   1.335   2.011  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        8.526   0.234   1.445  0.00  0.00    -0.273 N 
ATOM     16  N   LIG    1        9.100  -0.981   1.368  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        8.143  -1.740   0.826  0.00  0.00    +0.157 A 
ATOM     18  C   LIG    1        6.971  -1.008   0.537  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        7.246   0.266   0.969  0.00  0.00    +0.131 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -1.356  -1.523  -1.508  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.051  -1.344  -0.136  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.108  -1.242   0.937  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.607  -0.835   1.674  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.988  -0.113  -0.104  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.557   0.124   1.245  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.246   1.432   1.304  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.601   1.469   0.630  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.349   0.290   0.448  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.616   0.356  -0.146  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.148   1.584  -0.538  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.418   2.754  -0.343  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.767  -1.047   0.834  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.152   2.698   0.242  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.501  -0.918   1.694  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7