REAL300019838210.mol2 44 1 O -0.53 -12.32 15.64 5.56 0.09 -12.23 16 2 C 0.52 9.70 7.79 -10.98 -0.09 9.62 16 3 C -0.13 -1.79 5.68 -27.88 -0.16 -1.94 16 4 C -0.07 -0.88 4.62 -27.88 -0.13 -1.00 16 5 C -0.08 -0.75 5.16 -104.37 -0.54 -1.29 16 6 C -0.09 -0.50 9.69 -39.58 -0.38 -0.88 16 7 C -0.10 -0.40 10.04 -39.48 -0.40 -0.80 16 8 C -0.11 -0.57 10.04 -39.63 -0.40 -0.97 16 9 C -0.08 -0.75 6.31 -104.35 -0.66 -1.41 16 10 C 0.26 3.16 9.97 -38.81 -0.39 2.77 16 11 O -0.51 -10.19 17.75 -56.57 -1.00 -11.19 16 12 O -0.48 -8.56 15.05 -56.57 -0.85 -9.41 16 13 C 0.09 1.11 7.74 35.92 0.28 1.39 16 14 N -0.71 -13.22 5.01 -56.07 -0.28 -13.50 16 15 C 0.30 6.63 2.71 -70.24 -0.19 6.44 16 16 C 0.05 1.32 7.16 -155.99 -1.12 0.20 16 17 N -0.37 -11.39 12.45 32.58 0.41 -10.98 16 18 N -0.20 -6.55 13.46 60.35 0.81 -5.74 16 19 N -0.20 -6.61 13.46 60.35 0.81 -5.80 16 20 N -0.37 -11.95 12.45 32.58 0.41 -11.55 16 21 C -0.07 -1.33 4.94 -104.62 -0.52 -1.85 16 22 C -0.10 -1.68 9.05 -39.58 -0.36 -2.04 16 23 C -0.12 -1.77 10.05 -39.58 -0.40 -2.17 16 24 C -0.13 -1.72 10.05 -39.59 -0.40 -2.12 16 25 C -0.12 -1.76 10.05 -39.58 -0.40 -2.16 16 26 C -0.10 -1.76 9.67 -39.58 -0.38 -2.14 16 27 H 0.10 1.45 8.14 -51.93 -0.42 1.03 16 28 H 0.09 0.86 8.14 -51.93 -0.42 0.44 16 29 H 0.10 1.69 7.30 -51.93 -0.38 1.31 16 30 H 0.09 1.05 8.01 -51.93 -0.42 0.64 16 31 H 0.16 0.51 8.06 -52.49 -0.42 0.09 16 32 H 0.15 0.13 8.06 -52.49 -0.42 -0.30 16 33 H 0.16 0.35 8.06 -52.48 -0.42 -0.07 16 34 H 0.36 6.38 9.30 45.56 0.42 6.80 16 35 H 0.06 0.65 8.14 -51.93 -0.42 0.23 16 36 H 0.07 0.66 8.14 -51.93 -0.42 0.23 16 37 H 0.40 6.20 6.89 -40.82 -0.28 5.92 16 38 H 0.10 2.30 7.44 -51.93 -0.39 1.92 16 39 H 0.12 2.07 6.93 -52.49 -0.36 1.70 16 40 H 0.12 1.41 8.06 -52.49 -0.42 0.99 16 41 H 0.12 1.24 8.06 -52.49 -0.42 0.82 16 42 H 0.12 1.39 8.06 -52.49 -0.42 0.96 16 43 H 0.12 2.01 8.04 -52.49 -0.42 1.59 16 Total: -1.00 -44.17 380.78 -6.54 -50.71