REAL300020145805.mol2 37 1 O -0.51 -9.15 16.29 5.31 0.09 -9.06 16 2 C 0.56 7.83 6.91 -12.39 -0.09 7.74 16 3 C -0.12 -1.14 4.89 -104.96 -0.51 -1.65 16 4 C -0.05 -0.43 7.12 -38.85 -0.28 -0.70 16 5 C 0.22 1.67 9.79 -38.73 -0.38 1.29 16 6 O -0.54 -7.29 17.23 -57.73 -0.99 -8.29 16 7 O -0.63 -8.36 17.83 -57.73 -1.03 -9.39 16 8 C -0.08 -0.29 9.62 -39.19 -0.38 -0.67 16 9 C -0.12 -0.46 10.00 -39.61 -0.40 -0.86 16 10 C 0.16 1.26 7.28 -38.81 -0.28 0.98 16 11 F -0.10 -1.06 16.65 2.25 0.04 -1.03 16 12 N -0.59 -8.22 2.97 -173.66 -0.52 -8.74 16 13 C 0.09 1.00 5.52 -3.71 -0.02 0.98 16 14 C -0.13 -1.50 6.08 -26.61 -0.16 -1.67 16 15 C -0.11 -1.75 5.15 -26.69 -0.14 -1.89 16 16 C 0.02 0.41 2.82 -91.43 -0.26 0.15 16 17 C 0.06 1.56 6.87 -156.72 -1.08 0.48 16 18 N -0.38 -11.07 12.43 32.43 0.40 -10.67 16 19 N -0.20 -6.17 13.47 60.35 0.81 -5.35 16 20 N -0.20 -6.23 13.47 60.35 0.81 -5.42 16 21 N -0.39 -11.56 12.43 32.43 0.40 -11.16 16 22 C 0.13 2.26 5.72 -3.48 -0.02 2.24 16 23 H 0.18 1.49 7.07 -52.49 -0.37 1.12 16 24 H 0.36 4.01 9.20 45.56 0.42 4.43 16 25 H 0.32 2.57 7.10 45.56 0.32 2.89 16 26 H 0.17 0.12 6.47 -52.48 -0.34 -0.22 16 27 H 0.18 0.11 8.06 -52.49 -0.42 -0.32 16 28 H 0.08 0.66 4.73 -51.93 -0.25 0.41 16 29 H 0.08 0.81 8.14 -51.93 -0.42 0.39 16 30 H 0.07 0.75 8.14 -51.93 -0.42 0.33 16 31 H 0.08 0.73 8.14 -51.93 -0.42 0.30 16 32 H 0.07 1.14 8.14 -51.93 -0.42 0.72 16 33 H 0.07 1.25 8.14 -51.93 -0.42 0.83 16 34 H 0.08 1.56 8.14 -51.92 -0.42 1.14 16 35 H 0.08 1.57 8.14 -51.93 -0.42 1.15 16 36 H 0.09 1.90 7.03 -51.93 -0.36 1.53 16 Total: -1.00 -40.05 317.20 -3.15 -43.20