@<TRIPOS>MOLECULE
ZINC000001644610
 42 44 0 0 0
SMALL
USER_CHARGES

@<TRIPOS>ATOM
      1 O1          0.0021   -0.0041    0.0020 O.2     1  ZINC0000016446101   -0.2300
      2 N2         -0.0144    1.2138    0.0087 N.pl3   1  ZINC0000016446101    0.0700
      3 O3          1.0320    1.8371    0.0021 O.2     1  ZINC0000016446101   -0.2300
      4 C4         -1.3063    1.9364    0.0188 C.3     1  ZINC0000016446101   -0.1700
      5 C5         -1.3217    3.3204    0.0207 C.3     1  ZINC0000016446101   -0.0100
      6 C6         -2.5223    4.0064    0.0305 C.3     1  ZINC0000016446101   -0.2500
      7 C7         -3.7194    3.3109    0.0385 C.3     1  ZINC0000016446101    0.3300
      8 O8         -4.8993    3.9839    0.0482 O.2     1  ZINC0000016446101   -0.6400
      9 C9         -3.7087    1.9086    0.0362 C.3     1  ZINC0000016446101   -0.0600
     10 N10        -4.8849    1.2124    0.0435 N.2     1  ZINC0000016446101   -0.4100
     11 C11        -5.0000    0.1352    0.7682 C.2     1  ZINC0000016446101    0.1300
     12 C12        -6.2659   -0.6142    0.7761 C.3     1  ZINC0000016446101   -0.0500
     13 C13        -7.3450   -0.1735    0.0009 C.3     1  ZINC0000016446101   -0.0800
     14 C14        -8.5199   -0.8690    0.0082 C.3     1  ZINC0000016446101   -0.1000
     15 C15        -8.6453   -2.0231    0.7906 C.3     1  ZINC0000016446101   -0.0500
     16 C16        -9.9113   -2.7721    0.7989 C.2     1  ZINC0000016446101    0.1300
     17 N17       -10.0280   -3.8466    1.5274 N.2     1  ZINC0000016446101   -0.4100
     18 C18       -11.2044   -4.5426    1.5351 C.3     1  ZINC0000016446101   -0.0600
     19 C19       -11.9188   -4.7272    0.3495 C.3     1  ZINC0000016446101   -0.0400
     20 C20       -13.1054   -5.4306    0.3643 C.3     1  ZINC0000016446101   -0.1700
     21 N21       -13.8619   -5.6262   -0.8929 N.pl3   1  ZINC0000016446101    0.0700
     22 O22       -13.4364   -5.1666   -1.9375 O.2     1  ZINC0000016446101   -0.2300
     23 O23       -14.9098   -6.2469   -0.8828 O.2     1  ZINC0000016446101   -0.2300
     24 C24       -13.5913   -5.9546    1.5497 C.3     1  ZINC0000016446101   -0.0100
     25 C25       -12.8934   -5.7783    2.7303 C.3     1  ZINC0000016446101   -0.2500
     26 C26       -11.6977   -5.0803    2.7325 C.3     1  ZINC0000016446101    0.3300
     27 O27       -11.0115   -4.9066    3.8919 O.2     1  ZINC0000016446101   -0.6400
     28 C28        -7.5657   -2.4645    1.5648 C.3     1  ZINC0000016446101   -0.0800
     29 C29        -6.3895   -1.7712    1.5544 C.3     1  ZINC0000016446101   -0.1000
     30 C30        -2.4897    1.2276    0.0205 C.3     1  ZINC0000016446101   -0.0400
     31 H31        -0.3907    3.8678    0.0148 H       1  ZINC0000016446101    0.1300
     32 H32        -2.5263    5.0864    0.0323 H       1  ZINC0000016446101    0.1300
     33 H33        -4.1661   -0.2073    1.3628 H       1  ZINC0000016446101    0.1000
     34 H34        -7.2483    0.7168   -0.6027 H       1  ZINC0000016446101    0.1400
     35 H35        -9.3527   -0.5286   -0.5893 H       1  ZINC0000016446101    0.1200
     36 H36       -10.7441   -2.4317    0.2014 H       1  ZINC0000016446101    0.1000
     37 H37       -11.5431   -4.3196   -0.5774 H       1  ZINC0000016446101    0.1300
     38 H38       -14.5211   -6.5040    1.5525 H       1  ZINC0000016446101    0.1300
     39 H39       -13.2792   -6.1898    3.6513 H       1  ZINC0000016446101    0.1300
     40 H40        -7.6623   -3.3551    2.1681 H       1  ZINC0000016446101    0.1400
     41 H41        -5.5567   -2.1118    2.1517 H       1  ZINC0000016446101    0.1200
     42 H42        -2.4735    0.1478    0.0183 H       1  ZINC0000016446101    0.1300
@<TRIPOS>UNITY_ATOM_ATTR
8 1
charge -1
27 1
charge -1
@<TRIPOS>BOND
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     2     2     3    2
     3     2     4    1
     4     4    30   ar
     5     4     5   ar
     6     5     6   ar
     7     5    31    1
     8     6     7   ar
     9     6    32    1
    10     7     8    1
    11     7     9   ar
    12     9    10    1
    13     9    30   ar
    14    10    11    2
    15    11    12    1
    16    11    33    1
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    24    15    28   ar
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    26    16    36    1
    27    17    18    1
    28    18    26   ar
    29    18    19   ar
    30    19    20   ar
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    32    20    21    1
    33    20    24   ar
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    35    21    23    2
    36    24    25   ar
    37    24    38    1
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    41    28    29   ar
    42    28    40    1
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