REMARK  Name = BDB051055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.261  -0.445   0.608  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.453   0.985   0.893  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1        0.618   1.495   0.021  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1       -0.392   1.388   1.289  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1       -0.933  -0.682  -0.356  0.00  0.00    +0.027 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.349  -0.925   0.274  0.00  0.00    -0.033 C 
ATOM      7  C   LIG    1       -3.346  -1.008  -0.900  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1       -2.347  -2.292   0.995  0.00  0.00    +0.011 C 
BRANCH   6   9
ATOM      9  C   LIG    1       -2.736   0.211   1.262  0.00  0.00    +0.011 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.144   0.172   1.889  0.00  0.00    +0.035 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.251   0.808   1.079  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1       -6.404   0.077   0.758  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -7.449   0.668   0.041  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -7.369   2.009  -0.352  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1       -6.219   2.743  -0.031  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -5.175   2.151   0.684  0.00  0.00    +0.004 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -8.482   2.648  -1.137  0.00  0.00    +0.191 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -8.145   2.726  -2.515  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1       -7.332   2.209  -2.652  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   1  20
ATOM     20  C   LIG    1        1.600  -1.061   0.086  0.00  0.00    +0.132 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.530  -2.491   0.145  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1        1.304  -2.736   1.061  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        1.981  -0.652  -1.350  0.00  0.00    +0.045 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.323  -1.244  -1.835  0.00  0.00    +0.074 C 
ATOM     25  C   LIG    1        3.346  -1.294  -3.367  0.00  0.00    +0.017 C 
BRANCH  24  28
ATOM     26  N   LIG    1        4.889  -0.670  -0.050  0.00  0.00    -0.315 N 
ATOM     27  H   LIG    1        4.528  -1.500   0.403  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1        4.493  -0.393  -1.341  0.00  0.00    +0.216 C 
ATOM     29  O   LIG    1        5.008   0.491  -2.021  0.00  0.00    -0.276 OA
BRANCH  26  30
ATOM     30  C   LIG    1        5.993   0.036   0.571  0.00  0.00    +0.104 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.333  -0.620   0.239  0.00  0.00    +0.018 C 
BRANCH  31  33
ATOM     32  C   LIG    1        8.786   1.475   0.236  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        8.532   0.108   0.854  0.00  0.00    -0.002 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 16