REAL300009850768.mol2 45 1 O -0.68 -21.26 15.21 -20.23 -0.31 -21.57 16 2 C 0.52 15.30 5.59 36.00 0.20 15.50 16 3 O -0.68 -23.01 17.84 -20.23 -0.36 -23.37 16 4 C -0.15 -3.52 0.28 -154.42 -0.04 -3.56 16 5 C 0.56 12.31 5.53 -10.99 -0.06 12.25 16 6 O -0.54 -12.67 13.01 5.56 0.07 -12.60 16 7 N -0.62 -11.05 2.90 -172.53 -0.50 -11.55 16 8 C 0.09 1.62 4.54 -3.48 -0.02 1.60 16 9 C -0.13 -2.13 5.23 -26.39 -0.14 -2.27 16 10 C -0.14 -1.49 1.86 -90.58 -0.17 -1.66 16 11 C 0.39 3.40 9.01 37.15 0.33 3.74 16 12 O -0.70 -12.60 14.55 -57.73 -0.84 -13.44 16 13 O -0.75 -14.51 17.78 -57.73 -1.03 -15.54 16 14 C -0.12 -1.05 5.36 -26.64 -0.14 -1.19 16 15 C 0.12 1.53 6.43 -3.74 -0.02 1.51 16 16 C -0.11 -2.19 3.58 -24.33 -0.09 -2.28 16 17 C -0.11 -1.86 5.22 -85.20 -0.44 -2.31 16 18 C -0.12 -1.94 6.20 -24.36 -0.15 -2.09 16 19 C -0.15 -2.77 5.81 -24.33 -0.14 -2.91 16 20 C -0.05 -1.21 3.98 -85.35 -0.34 -1.55 16 21 C -0.12 -2.37 6.34 -22.27 -0.14 -2.51 16 22 H 0.06 0.95 8.08 -51.93 -0.42 0.53 16 23 H 0.13 2.79 2.79 -51.93 -0.14 2.64 16 24 H 0.08 1.38 8.14 -51.93 -0.42 0.95 16 25 H 0.11 1.97 5.85 -51.93 -0.30 1.66 16 26 H 0.12 1.23 8.03 -51.93 -0.42 0.81 16 27 H 0.14 0.94 8.14 -51.93 -0.42 0.51 16 28 H 0.14 0.52 8.14 -51.93 -0.42 0.09 16 29 H 0.32 5.39 8.90 45.56 0.41 5.80 16 30 H 0.32 5.63 8.90 45.56 0.41 6.04 16 31 H 0.09 0.89 8.14 -51.93 -0.42 0.46 16 32 H 0.09 0.42 8.14 -51.93 -0.42 -0.01 16 33 H 0.10 1.42 7.01 -51.93 -0.36 1.06 16 34 H 0.07 0.72 8.14 -51.93 -0.42 0.30 16 35 H 0.10 2.13 5.98 -51.93 -0.31 1.82 16 36 H 0.05 0.98 5.93 -51.93 -0.31 0.67 16 37 H 0.09 1.41 8.14 -51.93 -0.42 0.99 16 38 H 0.05 0.84 7.84 -51.93 -0.41 0.43 16 39 H 0.05 0.77 8.14 -51.93 -0.42 0.35 16 40 H 0.10 2.02 4.57 -52.19 -0.24 1.78 16 41 H 0.05 0.89 8.14 -51.93 -0.42 0.47 16 42 H 0.10 2.33 8.14 -51.93 -0.42 1.91 16 43 H 0.06 1.05 8.14 -51.93 -0.42 0.63 16 44 H 0.07 1.59 7.96 -51.93 -0.41 1.17 16 Total: -1.00 -43.25 327.66 -6.55 -49.81