67
Coordinates from ORCA-job /scratch/magstr/orcajob__5670634-hwDu/orca
  N   -4.17026500000000     -4.75884300000000      2.00666700000000
  C   -4.28453000000000     -5.98646500000000      1.26935200000000
  C   -2.88506600000000     -6.68543300000000      1.25648800000000
  N   -2.43150200000000     -7.07622100000000      2.54574500000000
  C   -3.19479000000000     -8.04849700000000      3.25965300000000
  C   -3.88024000000000     -7.43406500000000      4.50254500000000
  N   -4.52791900000000     -6.18864600000000      4.14762800000000
  Mo  -4.14116400000000     -4.08791800000000      3.88537000000000
  N   -2.38146100000000     -4.77220000000000      4.30576600000000
  C   -1.18454900000000     -5.12511200000000      3.57511100000000
  C   -1.20350800000000     -6.61326300000000      3.10909200000000
  H   -0.29330300000000     -4.96306300000000      4.18472700000000
  H   -1.12519200000000     -4.46146000000000      2.70978500000000
  H   -0.96597200000000     -7.24900400000000      3.96387600000000
  H   -0.39562600000000     -6.70629900000000      2.37398600000000
  H   -4.61425700000000     -8.13555100000000      4.89933300000000
  H   -3.13150100000000     -7.26219700000000      5.28450800000000
  H   -3.95385000000000     -8.46648200000000      2.59745600000000
  H   -2.55115700000000     -8.86400500000000      3.60749100000000
  H   -4.57507900000000     -5.79486000000000      0.23473200000000
  H   -5.04310400000000     -6.62720500000000      1.72431400000000
  H   -2.15908400000000     -6.00804400000000      0.80209300000000
  H   -2.99268000000000     -7.56812900000000      0.61274700000000
  C   -3.60507200000000     -3.69500500000000      1.38060100000000
  C   -3.60478600000000     -3.33299200000000      0.02711700000000
  C   -2.99172700000000     -2.14575700000000     -0.32097000000000
  C   -2.35698200000000     -1.37954400000000      0.65214600000000
  C   -2.37133100000000     -1.80476000000000      1.97745400000000
  C   -1.56416100000000     -1.17518900000000      3.03410700000000
  O   -1.17653700000000     -1.82493500000000      4.00779800000000
  C   -1.25305700000000      0.26437000000000      2.91815000000000
  O   -1.38413200000000      1.03412200000000      2.01441600000000
  Br  -0.55167700000000      0.90930700000000      4.64896000000000
  N   -3.01909800000000     -2.94132000000000      2.32802900000000
  C   -5.86567000000000     -6.07203100000000      4.20715600000000
  C   -6.90389900000000     -6.98416400000000      4.44301400000000
  C   -8.19935000000000     -6.52126000000000      4.32605900000000
  C   -8.44571800000000     -5.19811700000000      3.96713100000000
  C   -7.37407900000000     -4.33626800000000      3.77179600000000
  C   -7.59626000000000     -2.93484600000000      3.36089500000000
  O   -8.70985800000000     -2.44114200000000      3.18866800000000
  C   -6.37769400000000     -2.18975900000000      3.18725300000000
  O   -5.21361600000000     -2.61909200000000      3.39073100000000
  Br  -6.56390100000000     -0.35415100000000      2.67327100000000
  N   -6.11110600000000     -4.77495400000000      3.93115400000000
  C   -2.51539000000000     -5.03057100000000      5.62926600000000
  C   -1.61679800000000     -5.54688200000000      6.56959600000000
  C   -2.09352800000000     -5.81825400000000      7.83808200000000
  C   -3.43480100000000     -5.60012200000000      8.13193200000000
  C   -4.27746400000000     -5.04274300000000      7.17292500000000
  C   -5.69732800000000     -4.84455200000000      7.53567500000000
  O   -6.23465100000000     -5.48930500000000      8.43130800000000
  C   -6.43509700000000     -3.80352100000000      6.80290800000000
  O   -6.00080200000000     -2.97541600000000      6.03456400000000
  Br  -8.32751000000000     -3.80782300000000      7.25984900000000
  N   -3.80997800000000     -4.73903400000000      5.94298600000000
  H   -4.09666400000000     -3.94106100000000     -0.71310000000000
  H   -2.98647600000000     -1.81815000000000     -1.34852900000000
  H   -1.83111000000000     -0.47903600000000      0.38441000000000
  H   -6.70565700000000     -8.01246400000000      4.69165900000000
  H   -9.02745000000000     -7.19138700000000      4.49444000000000
  H   -9.44440200000000     -4.81645500000000      3.83207500000000
  H   -0.59043700000000     -5.72997700000000      6.29999600000000
  H   -1.43577800000000     -6.22436700000000      8.58988500000000
  H   -3.85335700000000     -5.84580700000000      9.09436100000000
  N   -3.23221300000000     -2.49185500000000      4.96392900000000
  N   -2.62624500000000     -1.42781200000000      5.68296800000000
