REAL300018090496.mol2 46 1 C -0.18 1.47 8.63 37.16 0.32 1.79 16 2 C 0.05 -0.19 1.99 -67.71 -0.13 -0.33 16 3 N -0.49 3.30 1.42 -107.99 -0.15 3.15 16 4 H 0.44 -0.82 5.84 -39.29 -0.23 -1.05 16 5 H 0.41 -4.26 8.59 -39.29 -0.34 -4.60 16 6 C 0.04 -0.40 4.37 -4.97 -0.02 -0.42 16 7 C -0.14 1.19 5.38 -104.29 -0.56 0.63 16 8 C -0.06 0.72 9.66 -39.63 -0.38 0.34 16 9 C -0.11 1.19 10.04 -39.48 -0.40 0.79 16 10 C -0.05 0.47 10.03 -39.63 -0.40 0.07 16 11 C -0.11 0.66 9.75 -39.25 -0.38 0.27 16 12 C 0.30 -1.31 9.76 -38.72 -0.38 -1.69 16 13 O -0.60 -2.78 17.25 -57.73 -1.00 -3.77 16 14 O -0.67 -1.28 12.39 -57.73 -0.72 -1.99 16 15 C -0.18 -0.51 1.99 -91.78 -0.18 -0.69 16 16 C -0.05 -0.17 4.59 -27.88 -0.13 -0.30 16 17 C -0.08 -0.51 4.84 -104.62 -0.51 -1.01 16 18 C -0.09 -0.81 8.86 -39.58 -0.35 -1.16 16 19 C -0.12 -0.88 10.05 -39.59 -0.40 -1.27 16 20 C -0.12 -0.71 10.05 -39.59 -0.40 -1.11 16 21 C -0.13 -0.61 10.05 -39.58 -0.40 -1.01 16 22 C -0.12 -0.56 9.70 -39.58 -0.38 -0.94 16 23 C 0.49 5.53 4.35 36.00 0.16 5.69 16 24 O -0.68 -11.28 17.98 -20.23 -0.36 -11.65 16 25 O -0.67 -9.90 17.59 -20.23 -0.36 -10.26 16 26 H 0.08 -0.72 8.14 -51.93 -0.42 -1.14 16 27 H 0.07 -0.79 6.40 -51.93 -0.33 -1.12 16 28 H 0.10 -0.71 6.32 -51.93 -0.33 -1.04 16 29 H 0.14 -0.31 8.03 -51.93 -0.42 -0.72 16 30 H 0.14 -1.86 6.14 -51.93 -0.32 -2.18 16 31 H 0.17 -1.07 5.72 -51.93 -0.30 -1.37 16 32 H 0.17 -2.50 8.03 -52.49 -0.42 -2.92 16 33 H 0.16 -2.09 8.06 -52.48 -0.42 -2.51 16 34 H 0.17 -1.93 8.06 -52.49 -0.42 -2.35 16 35 H 0.18 -0.90 7.77 -52.49 -0.41 -1.31 16 36 H 0.35 1.11 8.90 45.56 0.41 1.52 16 37 H 0.36 1.30 8.90 45.56 0.41 1.70 16 38 H 0.08 0.18 8.12 -51.93 -0.42 -0.24 16 39 H 0.07 -0.05 6.12 -51.92 -0.32 -0.37 16 40 H 0.08 0.39 7.92 -51.93 -0.41 -0.02 16 41 H 0.13 1.32 8.05 -52.49 -0.42 0.89 16 42 H 0.12 0.70 8.06 -52.49 -0.42 0.28 16 43 H 0.12 0.42 8.06 -52.48 -0.42 -0.01 16 44 H 0.12 0.28 8.06 -52.49 -0.42 -0.15 16 45 H 0.12 0.18 8.06 -52.49 -0.42 -0.25 16 Total: 0.00 -29.49 368.05 -8.77 -38.27