REMARK  Name = BDB046510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.616   0.820   0.533  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -0.232   2.190   0.442  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.079   2.512   0.061  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        1.479   3.841  -0.101  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.579   4.874   0.142  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.723   4.575   0.531  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1        2.031   1.574  -0.237  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1        1.790   0.329   0.401  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1       -1.128   3.243   0.674  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.341  -0.177   0.344  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.063  -1.371   0.240  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -2.018   0.421   0.650  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.737   0.444  -0.702  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.176  -0.075  -0.635  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.113   0.850   0.147  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.554   0.333   0.227  0.00  0.00    -0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -7.284   0.352  -1.119  0.00  0.00    -0.000 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -9.643   0.755  -0.227  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -8.726  -0.153  -1.032  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1        2.744  -0.707  -0.204  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.206  -0.293  -0.061  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1        5.047  -1.312  -0.624  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.817  -2.009   0.273  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        7.112  -2.351  -0.150  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        7.921  -3.130   0.692  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.448  -3.556   1.933  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.158  -3.222   2.338  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.339  -2.458   1.507  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1        7.641  -1.912  -1.495  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.199  -2.789  -2.643  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        7.976  -3.403  -3.363  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.862  -2.808  -2.851  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        5.371  -2.287  -2.178  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 14