REAL300009850842.mol2 51 1 O -0.67 -22.20 15.50 -20.23 -0.31 -22.51 16 2 C 0.49 15.18 6.05 36.01 0.22 15.40 16 3 O -0.68 -23.23 17.97 -20.23 -0.36 -23.59 16 4 C 0.04 0.86 3.27 -68.15 -0.22 0.64 16 5 C -0.08 -1.68 6.38 -27.04 -0.17 -1.85 16 6 C -0.01 -0.12 7.15 -80.12 -0.57 -0.69 16 7 C 0.62 10.33 7.81 -13.02 -0.10 10.22 16 8 O -0.53 -9.99 17.25 5.17 0.09 -9.90 16 9 N -0.61 -7.34 3.34 -172.46 -0.58 -7.91 16 10 C 0.10 0.97 6.12 -2.35 -0.01 0.96 16 11 C -0.11 -0.67 6.26 -25.07 -0.16 -0.83 16 12 C -0.09 -0.43 0.94 -154.46 -0.14 -0.58 16 13 C -0.11 -0.43 6.95 -26.45 -0.18 -0.61 16 14 C -0.17 -0.43 3.18 -89.58 -0.29 -0.72 16 15 C 0.39 0.95 9.53 37.16 0.35 1.31 16 16 O -0.71 -9.61 16.53 -57.73 -0.95 -10.56 16 17 O -0.74 -11.02 17.78 -57.73 -1.03 -12.05 16 18 C -0.09 -0.15 6.88 -26.45 -0.18 -0.34 16 19 C 0.13 1.02 6.37 -3.53 -0.02 0.99 16 20 N -0.17 -3.33 8.25 34.93 0.29 -3.04 16 21 N -0.42 -9.39 3.61 -52.29 -0.19 -9.58 16 22 C 0.25 5.22 6.08 -83.78 -0.51 4.71 16 23 C -0.13 -2.82 8.20 -39.37 -0.32 -3.14 16 24 C -0.09 -1.51 10.04 -39.61 -0.40 -1.90 16 25 C -0.17 -2.60 10.04 -39.54 -0.40 -2.99 16 26 C -0.09 -1.41 10.04 -39.61 -0.40 -1.81 16 27 C -0.17 -2.99 9.64 -39.36 -0.38 -3.37 16 28 H 0.09 1.95 8.14 -51.93 -0.42 1.52 16 29 H 0.09 1.74 8.14 -51.92 -0.42 1.32 16 30 H 0.10 2.35 7.73 -51.93 -0.40 1.95 16 31 H 0.10 1.19 6.16 -51.93 -0.32 0.87 16 32 H 0.07 0.73 8.14 -51.93 -0.42 0.30 16 33 H 0.09 0.56 8.14 -51.93 -0.42 0.14 16 34 H 0.09 0.40 8.06 -51.93 -0.42 -0.02 16 35 H 0.10 0.23 7.90 -51.93 -0.41 -0.18 16 36 H 0.09 0.52 8.12 -51.93 -0.42 0.10 16 37 H 0.15 0.63 7.73 -51.93 -0.40 0.22 16 38 H 0.14 -0.14 8.14 -51.93 -0.42 -0.57 16 39 H 0.14 -0.10 7.85 -51.93 -0.41 -0.51 16 40 H 0.33 4.05 8.90 45.56 0.41 4.46 16 41 H 0.33 4.32 8.90 45.56 0.41 4.72 16 42 H 0.10 0.15 8.12 -51.93 -0.42 -0.27 16 43 H 0.10 -0.02 7.97 -51.93 -0.41 -0.43 16 44 H 0.07 0.56 7.86 -51.93 -0.41 0.15 16 45 H 0.08 0.66 8.09 -51.93 -0.42 0.24 16 46 H 0.12 2.88 6.32 -52.49 -0.33 2.55 16 47 H 0.12 1.78 8.06 -52.48 -0.42 1.36 16 48 H 0.11 1.38 8.06 -52.49 -0.42 0.96 16 49 H 0.12 1.36 8.06 -52.49 -0.42 0.94 16 50 H 0.12 1.91 7.66 -52.49 -0.40 1.51 16 Total: -1.00 -47.73 413.42 -8.46 -56.18