REMARK  Name = BDB034401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.384   0.312  -0.808  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        4.216  -1.071  -0.960  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        3.101  -1.747  -0.480  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        2.079  -1.022   0.178  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.934  -1.743   0.636  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        0.943  -3.131   0.488  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.999  -3.737  -0.166  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        2.261   0.374   0.344  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1        3.058  -3.074  -0.660  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        3.392   1.031  -0.144  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -0.097  -1.077   1.319  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -0.205  -0.117   1.007  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.369  -1.708   1.656  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.285  -1.912   0.445  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.783  -0.588  -0.141  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.666  -0.758  -1.297  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1       -3.828   0.154  -1.728  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.979  -1.336  -1.000  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.842  -0.485  -0.108  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -6.346   0.738  -0.523  0.00  0.00    +0.171 A 
ATOM     21  O   LIG    1       -6.139   1.319  -1.738  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1       -6.898   2.537  -1.596  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1       -7.521   2.677  -0.304  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1       -7.133   1.518   0.294  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -7.466   1.130   1.574  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -6.976  -0.096   2.027  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.172  -0.896   1.195  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  28
ATOM     28  C   LIG    1        5.617   1.001  -1.345  0.00  0.00    +0.070 C 
BRANCH  28  32
ATOM     29  C   LIG    1        8.216   2.605   1.708  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.043   1.227   1.593  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.203   0.708   0.607  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.525   1.563  -0.275  0.00  0.00    -0.043 A 
ATOM     33  C   LIG    1        6.708   2.948  -0.150  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.550   3.465   0.838  0.00  0.00    +0.000 A 
ENDBRANCH  28  32
ENDBRANCH   1  28
TORSDOF 9