REMARK  Name = BDB034180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.327   0.654  -1.754  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.619   1.395  -2.592  0.00  0.00    +0.090 C 
ATOM      3  C   LIG    1       -2.056   1.470  -2.050  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -2.500   0.185  -1.391  0.00  0.00    -0.040 C 
ATOM      5  C   LIG    1       -1.617  -0.803  -1.155  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -0.149  -0.700  -1.471  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.920   0.032  -1.033  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -4.309  -0.357   0.251  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1       -5.592  -0.509   0.660  0.00  0.00    -0.250 NA
ATOM     10  C   LIG    1       -6.552  -0.250  -0.272  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -6.276   0.144  -1.574  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -4.941   0.287  -1.954  0.00  0.00    +0.012 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.974  -0.418   0.173  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.114  -0.780   1.496  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.251  -0.985   1.994  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.387  -1.114   2.074  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.911  -0.251  -0.599  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.890   1.405  -0.620  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.052   1.433   0.669  0.00  0.00    +0.029 C 
BRANCH  18  29
ATOM     20  C   LIG    1        6.840  -0.845   0.949  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        5.869  -1.363   1.970  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1        6.224  -2.084   2.897  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1        4.555  -0.997   1.824  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1        3.917  -1.353   2.522  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.096  -0.189   0.778  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        4.991   0.281  -0.179  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1        4.633   1.057  -1.221  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1        3.317   1.371  -1.305  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1        2.335   0.968  -0.392  0.00  0.00    -0.010 A 
ATOM     30  C   LIG    1        2.752   0.155   0.671  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        6.400  -0.079  -0.065  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1        8.999  -0.449   2.172  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        8.279  -1.253   1.098  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 5