REMARK  Name = BDB062338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.895   0.613  -0.905  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.261  -0.402  -1.569  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.191  -0.818  -0.780  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.584  -1.885  -1.270  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.236  -2.437  -2.502  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.852  -1.917  -3.186  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.169   0.008   0.395  0.00  0.00    -0.001 A 
ATOM      8  N   LIG    1        1.636  -0.901  -2.764  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        1.255   0.866   0.282  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.825  -0.088   1.530  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -0.432   0.690   2.791  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.188   0.267   1.066  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -3.172  -0.730   1.174  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -2.891  -1.903   1.451  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.639  -0.342   0.903  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -5.475  -0.898   1.940  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -6.704  -1.443   1.450  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -7.286  -0.624   0.289  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -6.399  -0.557  -0.886  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.699  -1.239  -1.584  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.005  -0.859  -0.504  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.524   1.670   0.910  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -1.744   2.650   0.071  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.093   2.205  -0.384  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.066   1.319  -1.391  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.361   0.514  -1.290  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.715   0.148   0.150  0.00  0.00    +0.109 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.174   0.221   0.275  0.00  0.00    +0.400 C 
ATOM     29  N   LIG    1        6.011  -0.484   0.233  0.00  0.00    -0.281 N 
ATOM     30  H   LIG    1        6.101  -1.484   0.120  0.00  0.00    +0.152 HD
ATOM     31  O   LIG    1        7.262   1.439   0.312  0.00  0.00    -0.226 OA
BRANCH  28  33
ATOM     32  C   LIG    1        9.495  -0.009   0.296  0.00  0.00    +0.282 C 
ATOM     33  O   LIG    1        8.217  -0.644   0.258  0.00  0.00    -0.454 OA
ENDBRANCH  28  33
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9