REAL300009850722.mol2 45 1 O -0.68 -21.65 17.00 -20.22 -0.34 -22.00 16 2 C 0.51 14.08 4.55 36.00 0.16 14.24 16 3 O -0.68 -19.48 15.18 -20.23 -0.31 -19.79 16 4 C -0.15 -3.36 0.28 -154.42 -0.04 -3.40 16 5 C 0.56 11.33 4.07 -10.99 -0.04 11.29 16 6 O -0.54 -11.92 14.68 5.55 0.08 -11.84 16 7 N -0.62 -9.85 2.20 -172.75 -0.38 -10.23 16 8 C 0.07 0.99 4.35 -3.13 -0.01 0.97 16 9 C -0.11 -1.35 5.70 -27.48 -0.16 -1.50 16 10 C -0.18 -3.00 5.39 -28.02 -0.15 -3.15 16 11 C 0.41 6.26 5.17 -29.79 -0.15 6.11 16 12 O -0.73 -17.63 16.57 -57.73 -0.96 -18.59 16 13 O -0.75 -17.64 17.03 -57.73 -0.98 -18.63 16 14 C -0.21 -3.08 4.43 -28.58 -0.13 -3.21 16 15 C 0.15 1.83 5.42 -4.08 -0.02 1.80 16 16 C -0.09 -1.89 5.45 -24.19 -0.13 -2.02 16 17 C -0.11 -1.82 5.20 -85.20 -0.44 -2.26 16 18 C -0.11 -1.70 6.25 -23.27 -0.15 -1.85 16 19 C -0.13 -1.93 6.14 -23.27 -0.14 -2.07 16 20 C -0.07 -1.30 2.65 -85.35 -0.23 -1.53 16 21 C -0.11 -1.98 6.28 -22.45 -0.14 -2.12 16 22 H 0.14 2.64 2.28 -51.93 -0.12 2.53 16 23 H 0.07 0.79 8.11 -51.93 -0.42 0.37 16 24 H 0.07 0.56 7.31 -51.93 -0.38 0.18 16 25 H 0.11 1.28 8.14 -51.92 -0.42 0.86 16 26 H 0.13 2.29 7.46 -51.93 -0.39 1.90 16 27 H 0.12 2.73 6.41 -51.92 -0.33 2.40 16 28 H 0.13 1.29 7.35 -51.92 -0.38 0.91 16 29 H 0.32 6.92 8.90 45.56 0.41 7.32 16 30 H 0.32 6.80 8.90 45.56 0.41 7.21 16 31 H 0.12 1.64 7.94 -51.93 -0.41 1.22 16 32 H 0.12 2.40 8.14 -51.93 -0.42 1.97 16 33 H 0.09 0.65 8.07 -51.93 -0.42 0.24 16 34 H 0.12 1.50 7.24 -51.93 -0.38 1.13 16 35 H 0.06 1.49 7.72 -51.93 -0.40 1.09 16 36 H 0.08 1.70 6.19 -51.93 -0.32 1.38 16 37 H 0.09 1.36 8.14 -51.93 -0.42 0.94 16 38 H 0.06 0.72 8.14 -51.93 -0.42 0.29 16 39 H 0.06 0.97 7.84 -51.93 -0.41 0.56 16 40 H 0.06 0.92 6.16 -51.93 -0.32 0.60 16 41 H 0.06 0.76 8.14 -51.93 -0.42 0.34 16 42 H 0.11 1.83 5.87 -51.93 -0.30 1.52 16 43 H 0.06 0.90 8.14 -51.93 -0.42 0.48 16 44 H 0.08 1.63 7.50 -51.93 -0.39 1.24 16 Total: -1.00 -41.34 324.07 -6.88 -48.22