REAL300009850693.mol2 45 1 O -0.68 -20.14 16.06 -20.23 -0.32 -20.47 16 2 C 0.51 14.25 4.39 36.01 0.16 14.40 16 3 O -0.68 -21.66 17.80 -20.23 -0.36 -22.02 16 4 C -0.15 -3.29 0.47 -154.42 -0.07 -3.37 16 5 C 0.56 11.26 5.73 -10.99 -0.06 11.20 16 6 O -0.53 -11.02 13.00 5.55 0.07 -10.95 16 7 N -0.67 -11.34 5.18 -9.88 -0.05 -11.39 16 8 C 0.20 2.84 6.28 -83.75 -0.53 2.31 16 9 C -0.16 -1.62 9.69 -38.95 -0.38 -2.00 16 10 C -0.03 -0.25 5.74 -106.77 -0.61 -0.87 16 11 C -0.06 -0.40 9.73 -39.53 -0.38 -0.79 16 12 C -0.11 -1.02 9.65 -39.64 -0.38 -1.40 16 13 C 0.32 3.76 9.78 -38.67 -0.38 3.38 16 14 O -0.69 -12.27 17.19 -57.73 -0.99 -13.26 16 15 O -0.69 -12.06 17.20 -57.73 -0.99 -13.05 16 16 C -0.08 -0.79 9.49 -38.78 -0.37 -1.16 16 17 C -0.04 -0.43 5.74 -106.82 -0.61 -1.05 16 18 C -0.08 -0.85 9.74 -39.48 -0.38 -1.23 16 19 C -0.09 -1.32 8.59 -39.75 -0.34 -1.66 16 20 C -0.10 -1.89 5.40 -24.34 -0.13 -2.02 16 21 C -0.11 -1.70 5.19 -85.35 -0.44 -2.14 16 22 C -0.11 -1.91 6.21 -24.22 -0.15 -2.06 16 23 C -0.12 -2.43 6.01 -24.22 -0.15 -2.57 16 24 C -0.05 -1.09 3.83 -85.17 -0.33 -1.42 16 25 C -0.13 -2.08 6.29 -22.27 -0.14 -2.22 16 26 H 0.42 6.76 8.64 -40.82 -0.35 6.40 16 27 H 0.14 1.13 8.06 -52.49 -0.42 0.71 16 28 H 0.17 0.62 8.06 -52.49 -0.42 0.20 16 29 H 0.17 1.40 7.73 -52.49 -0.41 1.00 16 30 H 0.33 4.93 8.90 45.56 0.41 5.34 16 31 H 0.33 4.85 8.90 45.56 0.41 5.26 16 32 H 0.18 1.73 7.73 -52.49 -0.41 1.33 16 33 H 0.14 1.21 8.06 -52.48 -0.42 0.78 16 34 H 0.16 2.55 6.18 -52.49 -0.32 2.23 16 35 H 0.10 2.03 6.17 -51.93 -0.32 1.70 16 36 H 0.05 0.77 7.70 -51.93 -0.40 0.37 16 37 H 0.09 1.23 8.14 -51.93 -0.42 0.81 16 38 H 0.07 1.29 7.83 -51.93 -0.41 0.89 16 39 H 0.05 0.76 8.14 -51.93 -0.42 0.34 16 40 H 0.06 0.96 8.14 -51.93 -0.42 0.53 16 41 H 0.08 1.88 6.16 -51.93 -0.32 1.57 16 42 H 0.10 2.13 7.81 -51.93 -0.41 1.72 16 43 H 0.06 0.95 8.14 -51.93 -0.42 0.53 16 44 H 0.06 1.08 7.72 -51.93 -0.40 0.68 16 Total: -1.00 -39.17 362.60 -8.76 -47.93