REAL300009850755.mol2 47 1 O -0.68 -21.12 14.81 -20.23 -0.30 -21.42 16 2 C 0.51 14.84 4.97 36.00 0.18 15.02 16 3 O -0.68 -22.13 17.75 -20.23 -0.36 -22.48 16 4 C -0.14 -3.25 0.43 -157.43 -0.07 -3.32 16 5 C 0.58 11.87 2.64 -10.99 -0.03 11.85 16 6 O -0.55 -11.68 11.26 5.55 0.06 -11.62 16 7 N -0.59 -9.83 1.95 -172.76 -0.34 -10.17 16 8 C 0.11 1.73 3.48 -3.71 -0.01 1.72 16 9 C -0.13 -2.16 6.02 -26.61 -0.16 -2.32 16 10 C -0.12 -1.50 5.02 -26.69 -0.13 -1.64 16 11 C -0.16 -1.90 2.05 -90.50 -0.19 -2.09 16 12 C 0.39 3.31 9.01 37.16 0.33 3.65 16 13 O -0.69 -12.84 14.57 -57.73 -0.84 -13.68 16 14 O -0.76 -14.41 17.78 -57.73 -1.03 -15.44 16 15 C 0.14 1.55 5.73 -3.71 -0.02 1.53 16 16 C -0.10 -1.80 3.74 -27.44 -0.10 -1.90 16 17 C -0.13 -1.92 5.06 -25.62 -0.13 -2.05 16 18 C -0.14 -2.03 5.27 -27.44 -0.14 -2.18 16 19 C -0.11 -1.68 5.61 -27.35 -0.15 -1.83 16 20 C -0.16 -2.92 5.16 -29.60 -0.15 -3.07 16 21 C -0.07 -1.49 4.16 -29.59 -0.12 -1.62 16 22 H 0.11 2.25 2.89 -51.93 -0.15 2.11 16 23 H 0.06 0.75 6.77 -51.93 -0.35 0.40 16 24 H 0.09 1.93 7.23 -51.93 -0.38 1.56 16 25 H 0.07 1.05 8.14 -51.93 -0.42 0.63 16 26 H 0.06 0.58 8.14 -51.93 -0.42 0.16 16 27 H 0.10 1.51 5.88 -51.93 -0.31 1.20 16 28 H 0.13 2.03 8.03 -51.93 -0.42 1.61 16 29 H 0.14 0.68 8.14 -51.93 -0.42 0.25 16 30 H 0.14 0.57 8.14 -51.93 -0.42 0.14 16 31 H 0.32 5.51 8.90 45.56 0.41 5.92 16 32 H 0.32 5.54 8.90 45.56 0.41 5.95 16 33 H 0.10 1.18 7.00 -51.93 -0.36 0.82 16 34 H 0.08 0.56 8.14 -51.93 -0.42 0.13 16 35 H 0.07 1.29 5.75 -51.92 -0.30 0.99 16 36 H 0.07 1.27 6.63 -51.93 -0.34 0.92 16 37 H 0.05 0.71 8.14 -51.93 -0.42 0.29 16 38 H 0.07 0.92 4.42 -51.93 -0.23 0.69 16 39 H 0.05 0.61 8.14 -51.93 -0.42 0.19 16 40 H 0.08 1.28 4.10 -51.93 -0.21 1.07 16 41 H 0.06 0.87 6.98 -51.93 -0.36 0.51 16 42 H 0.05 0.70 8.14 -51.93 -0.42 0.28 16 43 H 0.04 0.74 8.14 -51.93 -0.42 0.31 16 44 H 0.12 2.35 4.23 -54.88 -0.23 2.12 16 45 H 0.06 1.24 7.47 -51.93 -0.39 0.86 16 46 H 0.05 1.30 7.96 -51.93 -0.41 0.89 16 Total: -1.00 -41.93 322.87 -6.27 -48.21