REAL300009850720.mol2 47 1 O -0.66 -22.27 15.50 -20.23 -0.31 -22.58 16 2 C 0.49 15.03 6.04 36.00 0.22 15.25 16 3 O -0.68 -23.10 17.97 -20.22 -0.36 -23.47 16 4 C 0.04 0.83 3.29 -68.15 -0.22 0.61 16 5 C -0.08 -1.56 6.37 -27.04 -0.17 -1.73 16 6 C -0.02 -0.27 6.98 -80.12 -0.56 -0.83 16 7 C 0.61 8.59 7.58 -13.03 -0.10 8.49 16 8 O -0.51 -8.44 16.19 5.17 0.08 -8.36 16 9 N -0.61 -5.68 2.25 -174.44 -0.39 -6.07 16 10 C 0.10 0.60 6.08 -3.13 -0.02 0.58 16 11 C -0.12 -0.46 5.71 -27.48 -0.16 -0.61 16 12 C -0.17 -1.41 5.39 -28.01 -0.15 -1.56 16 13 C 0.40 3.99 5.17 -29.79 -0.15 3.84 16 14 O -0.71 -14.97 16.57 -57.73 -0.96 -15.92 16 15 O -0.76 -15.04 17.03 -57.73 -0.98 -16.02 16 16 C -0.20 -2.20 3.88 -28.59 -0.11 -2.31 16 17 C 0.13 1.01 4.99 -4.08 -0.02 0.99 16 18 N -0.18 -3.05 6.85 34.93 0.24 -2.81 16 19 N -0.42 -8.85 3.61 -52.29 -0.19 -9.04 16 20 C 0.24 5.01 6.08 -83.78 -0.51 4.50 16 21 C -0.13 -2.73 8.20 -39.37 -0.32 -3.05 16 22 C -0.09 -1.52 10.04 -39.61 -0.40 -1.92 16 23 C -0.17 -2.57 10.04 -39.53 -0.40 -2.97 16 24 C -0.09 -1.43 10.04 -39.61 -0.40 -1.83 16 25 C -0.17 -2.91 9.64 -39.36 -0.38 -3.29 16 26 H 0.09 1.91 8.14 -51.93 -0.42 1.48 16 27 H 0.10 2.31 7.72 -51.93 -0.40 1.91 16 28 H 0.09 1.61 8.14 -51.93 -0.42 1.19 16 29 H 0.11 0.79 6.93 -51.93 -0.36 0.43 16 30 H 0.08 0.31 8.14 -51.93 -0.42 -0.11 16 31 H 0.08 0.13 7.31 -51.93 -0.38 -0.25 16 32 H 0.11 0.25 8.14 -51.93 -0.42 -0.18 16 33 H 0.13 1.24 7.46 -51.93 -0.39 0.85 16 34 H 0.10 1.04 7.48 -51.92 -0.39 0.65 16 35 H 0.13 0.73 7.35 -51.93 -0.38 0.35 16 36 H 0.32 6.30 8.90 45.56 0.41 6.71 16 37 H 0.32 5.85 8.90 45.56 0.41 6.25 16 38 H 0.13 1.50 7.94 -51.93 -0.41 1.09 16 39 H 0.12 1.79 7.95 -51.93 -0.41 1.37 16 40 H 0.09 0.32 8.07 -51.93 -0.42 -0.10 16 41 H 0.16 1.57 4.76 -59.30 -0.28 1.29 16 42 H 0.12 2.86 6.33 -52.48 -0.33 2.53 16 43 H 0.12 1.79 8.06 -52.49 -0.42 1.37 16 44 H 0.12 1.42 8.06 -52.49 -0.42 0.99 16 45 H 0.12 1.44 8.06 -52.49 -0.42 1.01 16 46 H 0.12 1.83 7.66 -52.49 -0.40 1.43 16 Total: -1.00 -46.39 372.98 -7.81 -54.20