REMARK  Name = BDB046713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.971  -0.880   1.938  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        1.900  -1.726   1.630  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.698  -1.637   2.336  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.552  -0.694   3.349  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.633   0.114   3.700  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.836   0.030   2.995  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.253  -0.947   1.140  0.00  0.00    +0.059 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.458   0.252   0.196  0.00  0.00    +0.187 C 
BRANCH   8  12
ATOM      9  N   LIG    1        6.189   1.049  -1.372  0.00  0.00    -0.329 N 
ATOM     10  H   LIG    1        7.146   0.970  -1.697  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1        5.504   1.087  -2.123  0.00  0.00    +0.145 HD
ATOM     12  C   LIG    1        5.904   0.269  -0.286  0.00  0.00    +0.225 C 
ATOM     13  O   LIG    1        6.827  -0.273   0.319  0.00  0.00    -0.275 OA
ENDBRANCH   8  12
BRANCH   8  14
ATOM     14  C   LIG    1        3.462   0.219  -0.942  0.00  0.00    +0.317 C 
ATOM     15  O   LIG    1        3.736  -0.105  -2.090  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        2.217   0.630  -0.614  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        2.093   0.861   0.330  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  O   LIG    1       -0.594  -0.537   4.079  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.789  -0.410   3.297  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.978   1.030   2.808  0.00  0.00    +0.270 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.067   1.131   1.892  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.842   0.832   0.574  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -3.976   0.887  -0.242  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -3.909   0.593  -1.611  0.00  0.00    +0.034 A 
ATOM     25  N   LIG    1       -5.057   0.731  -2.392  0.00  0.00    -0.344 N 
ATOM     26  H   LIG    1       -5.900   0.395  -1.938  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -4.981   0.496  -3.828  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -3.913  -0.528  -4.179  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -2.566  -0.063  -3.637  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -2.668   0.256  -2.169  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1       -1.527   0.219  -1.361  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -1.616   0.499   0.006  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10