REAL300009850792.mol2 50 1 C -0.15 -2.83 8.99 37.16 0.33 -2.49 16 2 C -0.08 -1.82 3.99 -26.73 -0.11 -1.92 16 3 C -0.15 -3.47 0.28 -156.81 -0.04 -3.51 16 4 C -0.10 -1.91 4.04 -26.73 -0.11 -2.01 16 5 C -0.16 -2.98 8.90 37.16 0.33 -2.65 16 6 C 0.51 14.24 4.99 36.01 0.18 14.42 16 7 O -0.68 -19.94 13.12 -20.22 -0.27 -20.20 16 8 O -0.68 -20.60 15.00 -20.23 -0.30 -20.91 16 9 C 0.56 12.43 5.62 -10.99 -0.06 12.37 16 10 O -0.56 -13.51 13.51 5.56 0.08 -13.43 16 11 N -0.60 -10.95 2.81 -172.68 -0.48 -11.43 16 12 C 0.11 1.64 6.29 -3.67 -0.02 1.62 16 13 C -0.11 -1.34 5.20 -26.69 -0.14 -1.48 16 14 C -0.07 -0.70 0.76 -154.33 -0.12 -0.82 16 15 C -0.10 -0.63 6.42 -26.08 -0.17 -0.80 16 16 C -0.17 -1.06 3.81 -89.74 -0.34 -1.40 16 17 C 0.32 1.77 8.89 37.16 0.33 2.10 16 18 O -0.65 -11.25 17.78 -57.73 -1.03 -12.28 16 19 O -0.70 -12.41 17.73 -57.73 -1.02 -13.44 16 20 C -0.13 -1.07 5.54 -26.08 -0.14 -1.22 16 21 C -0.11 -1.66 5.00 -26.70 -0.13 -1.80 16 22 C 0.12 1.96 3.69 -3.67 -0.01 1.95 16 23 H 0.04 0.70 8.14 -51.93 -0.42 0.28 16 24 H 0.06 1.27 6.13 -51.93 -0.32 0.95 16 25 H 0.05 0.81 5.86 -51.92 -0.30 0.51 16 26 H 0.07 1.57 6.51 -51.93 -0.34 1.24 16 27 H 0.06 1.36 7.88 -51.93 -0.41 0.95 16 28 H 0.05 0.86 6.70 -51.93 -0.35 0.51 16 29 H 0.06 1.14 5.03 -51.93 -0.26 0.88 16 30 H 0.05 0.93 5.87 -51.93 -0.30 0.62 16 31 H 0.03 0.54 8.14 -51.92 -0.42 0.12 16 32 H 0.09 2.10 5.67 -51.93 -0.29 1.81 16 33 H 0.09 1.44 6.98 -51.93 -0.36 1.08 16 34 H 0.06 0.66 7.42 -51.93 -0.39 0.27 16 35 H 0.08 1.19 8.14 -51.93 -0.42 0.77 16 36 H 0.07 0.67 7.30 -51.93 -0.38 0.29 16 37 H 0.09 0.53 7.32 -51.93 -0.38 0.15 16 38 H 0.09 0.40 8.03 -51.93 -0.42 -0.01 16 39 H 0.13 0.96 7.61 -51.93 -0.39 0.56 16 40 H 0.14 0.37 8.14 -51.93 -0.42 -0.05 16 41 H 0.13 0.30 7.84 -51.93 -0.41 -0.11 16 42 H 0.34 5.53 9.20 45.56 0.42 5.95 16 43 H 0.31 4.26 7.65 45.56 0.35 4.61 16 44 H 0.09 0.66 7.85 -51.93 -0.41 0.26 16 45 H 0.09 0.84 8.09 -51.93 -0.42 0.42 16 46 H 0.06 0.76 8.12 -51.93 -0.42 0.34 16 47 H 0.10 2.05 6.39 -51.93 -0.33 1.72 16 48 H 0.11 2.28 2.98 -51.93 -0.15 2.13 16 49 H 0.04 0.56 8.05 -51.93 -0.42 0.15 16 Total: -1.00 -41.33 355.42 -6.28 -47.61