Mrv1652306071803092D 40 44 0 0 0 0 999 V2000 1.2472 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 -4.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 -0.9098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -4.1514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2721 -1.4764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -2.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4092 -4.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -3.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 -2.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -0.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 -2.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -3.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 -0.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -4.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4222 -1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3445 -3.3640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1097 -4.5640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 -2.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 -4.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 -0.7223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2721 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0971 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -4.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8222 -4.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -4.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 -0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5097 -2.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 -4.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 -0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 -4.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8222 -3.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9028 -0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 -4.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 -0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1055 -2.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0399 -2.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 -3.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3066 -2.2044 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 25 1 0 0 0 0 6 24 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 1 2 0 0 0 0 13 2 2 0 0 0 0 14 3 2 0 0 0 0 15 2 1 0 0 0 0 16 1 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 16 1 0 0 0 0 20 15 1 0 0 0 0 21 28 1 0 0 0 0 22 3 1 0 0 0 0 23 4 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 18 1 0 0 0 0 27 17 1 0 0 0 0 28 34 1 0 0 0 0 29 37 1 0 0 0 0 30 35 1 0 0 0 0 31 23 1 0 0 0 0 32 27 1 0 0 0 0 33 26 1 0 0 0 0 34 36 1 0 0 0 0 35 32 1 0 0 0 0 36 31 1 0 0 0 0 37 33 1 0 0 0 0 7 38 2 0 0 0 0 8 39 2 0 0 0 0 11 40 1 0 0 0 0 10 40 1 0 0 0 0 9 40 1 0 0 0 0 13 40 8 0 0 0 0 12 40 8 0 0 0 0 14 40 8 0 0 0 0 M STY 3 1 DAT 2 DAT 3 DAT M SAL 1 2 13 40 M SDT 1 MRV_COORDINATE_BOND_TYPE M SDD 1 0.0000 0.0000 DR ALL 0 0 M SED 1 42 M SAL 2 2 12 40 M SDT 2 MRV_COORDINATE_BOND_TYPE M SDD 2 0.0000 0.0000 DR ALL 0 0 M SED 2 43 M SAL 3 2 14 40 M SDT 3 MRV_COORDINATE_BOND_TYPE M SDD 3 0.0000 0.0000 DR ALL 0 0 M SED 3 44 M END