REAL300009850696.mol2 47 1 C -0.11 -1.67 8.21 37.16 0.30 -1.37 16 2 C -0.10 -1.77 2.70 -154.47 -0.42 -2.19 16 3 C -0.11 -1.92 8.15 37.16 0.30 -1.62 16 4 C -0.08 -1.53 2.70 -154.47 -0.42 -1.94 16 5 C -0.11 -2.23 8.07 37.16 0.30 -1.93 16 6 C -0.11 -1.92 7.97 37.16 0.30 -1.62 16 7 C -0.20 -4.53 2.31 -156.81 -0.36 -4.89 16 8 C 0.54 15.32 5.18 36.01 0.19 15.51 16 9 O -0.67 -21.81 16.92 -20.22 -0.34 -22.15 16 10 O -0.68 -20.39 16.45 -20.22 -0.33 -20.72 16 11 C 0.58 11.51 4.68 -10.98 -0.05 11.46 16 12 O -0.52 -10.69 11.77 5.55 0.07 -10.63 16 13 N -0.67 -10.90 5.28 -9.88 -0.05 -10.96 16 14 C 0.20 2.76 6.29 -83.76 -0.53 2.23 16 15 C -0.16 -1.57 9.69 -38.96 -0.38 -1.95 16 16 C -0.03 -0.23 5.74 -106.77 -0.61 -0.84 16 17 C -0.06 -0.39 9.73 -39.53 -0.38 -0.78 16 18 C -0.11 -0.99 9.65 -39.64 -0.38 -1.37 16 19 C 0.32 3.70 9.78 -38.67 -0.38 3.33 16 20 O -0.69 -11.96 17.20 -57.73 -0.99 -12.96 16 21 O -0.69 -12.18 17.19 -57.73 -0.99 -13.18 16 22 C -0.08 -0.77 9.49 -38.78 -0.37 -1.14 16 23 C -0.04 -0.43 5.74 -106.81 -0.61 -1.05 16 24 C -0.08 -0.80 9.74 -39.48 -0.38 -1.19 16 25 C -0.10 -1.33 8.56 -39.76 -0.34 -1.67 16 26 H 0.06 0.78 8.09 -51.93 -0.42 0.36 16 27 H 0.06 0.80 8.06 -51.93 -0.42 0.38 16 28 H 0.05 0.74 5.78 -51.93 -0.30 0.44 16 29 H 0.06 1.24 5.92 -51.92 -0.31 0.94 16 30 H 0.05 0.68 8.14 -51.93 -0.42 0.26 16 31 H 0.07 1.39 7.51 -51.93 -0.39 1.00 16 32 H 0.06 1.04 8.09 -51.93 -0.42 0.62 16 33 H 0.05 0.84 8.12 -51.93 -0.42 0.42 16 34 H 0.08 1.81 5.17 -51.93 -0.27 1.54 16 35 H 0.05 0.86 5.85 -51.93 -0.30 0.55 16 36 H 0.05 0.74 8.11 -51.93 -0.42 0.32 16 37 H 0.07 1.36 7.02 -51.93 -0.36 1.00 16 38 H 0.42 6.54 8.80 -40.82 -0.36 6.18 16 39 H 0.14 1.07 8.06 -52.49 -0.42 0.64 16 40 H 0.17 0.58 8.06 -52.48 -0.42 0.16 16 41 H 0.17 1.37 7.73 -52.48 -0.41 0.97 16 42 H 0.33 4.82 8.90 45.56 0.41 5.22 16 43 H 0.33 4.90 8.90 45.56 0.41 5.31 16 44 H 0.18 1.71 7.73 -52.49 -0.41 1.30 16 45 H 0.15 1.19 8.06 -52.49 -0.42 0.77 16 46 H 0.16 2.47 6.21 -52.49 -0.33 2.14 16 Total: -1.00 -39.80 377.50 -7.60 -47.40