REMARK  Name = BDB035143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.726   0.470  -0.691  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1        0.451   1.079  -1.348  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.769   0.305  -1.119  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.094   0.243   0.315  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        0.964   0.370   1.248  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.355  -0.133   0.610  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.396   0.121   0.762  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.800   0.431   2.062  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1        5.063   0.329   2.557  0.00  0.00    -0.238 NA
ATOM     10  C   LIG    1        6.025  -0.113   1.726  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1        5.747  -0.453   0.415  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.432  -0.333  -0.057  0.00  0.00    +0.028 A 
BRANCH  10  13
ATOM     13  N   LIG    1        7.275  -0.179   2.332  0.00  0.00    -0.236 N 
ATOM     14  H   LIG    1        7.259   0.116   3.298  0.00  0.00    +0.160 HD
ATOM     15  C   LIG    1        8.506  -0.556   1.888  0.00  0.00    +0.406 C 
ATOM     16  O   LIG    1        9.480  -0.520   2.636  0.00  0.00    -0.226 OA
BRANCH  15  17
ATOM     17  O   LIG    1        8.565  -0.964   0.592  0.00  0.00    -0.447 OA
BRANCH  17  18
ATOM     18  C   LIG    1        9.856  -1.350   0.082  0.00  0.00    +0.178 C 
ATOM     19  C   LIG    1        9.908  -1.605  -1.399  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       10.525  -0.361  -0.831  0.00  0.00    +0.048 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -1.829   1.438  -0.594  0.00  0.00    +0.093 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.624  -0.757  -0.663  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -6.998  -0.593   0.686  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1       -7.407  -1.184   1.678  0.00  0.00    -0.271 OA
ATOM     25  N   LIG    1       -5.931   0.259   0.775  0.00  0.00    -0.306 N 
ATOM     26  H   LIG    1       -5.659   0.436   1.734  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -5.663   1.256  -0.249  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -5.848   0.702  -1.675  0.00  0.00    +0.148 C 
ATOM     29  N   LIG    1       -4.727  -0.096  -2.176  0.00  0.00    -0.286 NA
ATOM     30  C   LIG    1       -3.575  -0.045  -1.606  0.00  0.00    +0.083 C 
ATOM     31  C   LIG    1       -3.206   0.776  -0.391  0.00  0.00    +0.046 C 
ATOM     32  C   LIG    1       -4.265   1.841  -0.108  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1       -7.064  -0.175  -1.741  0.00  0.00    +0.010 C 
BRANCH  22  35
ATOM     34  C   LIG    1      -10.094  -0.974  -0.258  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -8.826  -1.657  -0.752  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 7