REAL300009850674.mol2 38 1 O -0.68 -22.95 17.23 -20.51 -0.35 -23.30 16 2 C 0.52 16.03 8.01 34.63 0.28 16.31 16 3 O -0.68 -22.78 17.23 -20.51 -0.35 -23.14 16 4 C -0.10 -2.29 5.88 -104.93 -0.62 -2.90 16 5 C -0.10 -1.96 9.58 -39.20 -0.38 -2.34 16 6 C -0.07 -1.16 9.58 -39.24 -0.38 -1.54 16 7 C -0.16 -2.40 5.88 -104.89 -0.62 -3.02 16 8 C 0.57 7.23 7.61 -12.23 -0.09 7.13 16 9 O -0.52 -7.64 13.73 5.34 0.07 -7.57 16 10 N -0.68 -5.88 5.25 -10.68 -0.06 -5.93 16 11 C 0.19 1.52 6.28 -83.79 -0.53 0.99 16 12 C -0.15 -0.81 9.69 -38.95 -0.38 -1.19 16 13 C -0.03 -0.17 5.74 -106.77 -0.61 -0.78 16 14 C -0.06 -0.22 9.73 -39.53 -0.38 -0.61 16 15 C -0.11 -0.69 9.65 -39.64 -0.38 -1.08 16 16 C 0.32 2.93 9.78 -38.67 -0.38 2.55 16 17 O -0.68 -10.50 17.20 -57.73 -0.99 -11.49 16 18 O -0.68 -10.67 17.19 -57.73 -0.99 -11.66 16 19 C -0.08 -0.58 9.49 -38.78 -0.37 -0.95 16 20 C -0.04 -0.25 5.74 -106.81 -0.61 -0.87 16 21 C -0.08 -0.49 9.74 -39.48 -0.38 -0.88 16 22 C -0.10 -0.82 8.59 -39.75 -0.34 -1.16 16 23 C -0.10 -1.44 9.52 -39.24 -0.37 -1.82 16 24 C -0.09 -1.83 9.58 -39.20 -0.38 -2.20 16 25 H 0.14 2.87 7.63 -52.49 -0.40 2.47 16 26 H 0.13 1.99 7.64 -52.49 -0.40 1.59 16 27 H 0.42 2.53 6.85 -40.82 -0.28 2.25 16 28 H 0.15 0.43 8.06 -52.48 -0.42 0.01 16 29 H 0.17 0.11 8.06 -52.48 -0.42 -0.31 16 30 H 0.17 1.00 7.73 -52.49 -0.41 0.59 16 31 H 0.33 4.22 8.90 45.56 0.41 4.63 16 32 H 0.33 4.28 8.90 45.56 0.41 4.68 16 33 H 0.18 1.24 7.73 -52.49 -0.41 0.83 16 34 H 0.15 0.65 8.06 -52.49 -0.42 0.22 16 35 H 0.16 1.51 6.19 -52.48 -0.32 1.19 16 36 H 0.12 1.11 6.40 -52.49 -0.34 0.77 16 37 H 0.14 2.64 7.63 -52.48 -0.40 2.24 16 Total: -1.00 -43.27 337.70 -7.92 -51.18