DATA ENERGI 1J3I GRID 54 NI NYOMAN PURWANI 081214253010 Rank: 1_1 Binding Energy: -9.19 kI : 182.

81nM Intermolecular Energy : -10.68 Internal Energy : 0.05 Torsional Energy : 1.49 Unbound Extended Energy: 0.05 Cluster RMS: 0.0 Ref RMS: 1.32 Rank: 1_2 Binding Energy: -7.01 kI : 7.28uM Intermolecular Energy : -8.5 Internal Energy : -0.09 Torsional Energy : 1.49 Unbound Extended Energy: -0.09 Cluster RMS: 1.84 Ref RMS: 1.89 Rank: 1_3 Binding Energy: -6.45 kI : 18.85uM Intermolecular Energy : -7.94 Internal Energy : -0.64 Torsional Energy : 1.49 Unbound Extended Energy: -0.64 Cluster RMS: 1.96 Ref RMS: 2.13 Rank: 2_1 Binding Energy: -8.39 kI : 707.17nM Intermolecular Energy : -9.88 Internal Energy : 0.23 Torsional Energy : 1.49 Unbound Extended Energy: 0.23 Cluster RMS: 0.0 Ref RMS: 4.12 Rank: 3_1 Binding Energy: -7.88 kI : 1.67uM Intermolecular Energy : -9.37 Internal Energy : -0.59

Torsional Energy : 1.49 Unbound Extended Energy: -0.59 Cluster RMS: 0.0 Ref RMS: 3.02 Rank: 4_1 Binding Energy: -7.88 kI : 1.67uM Intermolecular Energy : -9.37 Internal Energy : 0.16 Torsional Energy : 1.49 Unbound Extended Energy: 0.16 Cluster RMS: 0.0 Ref RMS: 2.29 Rank: 4_2 Binding Energy: -7.02 kI : 7.18uM Intermolecular Energy : -8.51 Internal Energy : 0.26 Torsional Energy : 1.49 Unbound Extended Energy: 0.26 Cluster RMS: 0.59 Ref RMS: 2.33 Rank: 4_3 Binding Energy: -6.97 kI : 7.79uM Intermolecular Energy : -8.46 Internal Energy : 1.59 Torsional Energy : 1.49 Unbound Extended Energy: 1.59 Cluster RMS: 1.73 Ref RMS: 2.46 Rank: 4_4 Binding Energy: -6.84 kI : 9.69uM Intermolecular Energy : -8.33 Internal Energy : -0.2 Torsional Energy : 1.49 Unbound Extended Energy: -0.2 Cluster RMS: 1.66 Ref RMS: 2.47 Rank: 5_1 Binding Energy: kI : -7.71 2.24uM

Intermolecular Energy : -9.2 Internal Energy : -0.02 Torsional Energy : 1.49 Unbound Extended Energy: -0.02 Cluster RMS: 0.0 Ref RMS: 2.25