REAL300024357213.mol2 52 1 C -0.15 -1.42 7.79 37.16 0.29 -1.13 16 2 C 0.15 1.66 1.57 -89.97 -0.14 1.52 16 3 C -0.15 -1.24 7.79 37.16 0.29 -0.95 16 4 O -0.56 -7.91 14.24 -59.50 -0.85 -8.75 16 5 C 0.30 0.93 9.74 37.16 0.36 1.29 16 6 C -0.14 -0.47 2.10 -90.58 -0.19 -0.66 16 7 C -0.12 -0.29 5.36 -26.61 -0.14 -0.43 16 8 C 0.12 0.71 6.43 -3.71 -0.02 0.69 16 9 N -0.62 -5.55 2.97 -172.50 -0.51 -6.06 16 10 C 0.54 7.25 7.72 -10.99 -0.08 7.16 16 11 O -0.52 -8.58 15.27 5.56 0.08 -8.49 16 12 C -0.15 -2.33 4.02 36.01 0.14 -2.19 16 13 S 0.06 1.16 21.45 -107.50 -2.31 -1.14 16 14 C 0.20 5.37 8.33 -88.20 -0.73 4.63 16 15 N -0.40 -10.27 11.98 30.72 0.37 -9.90 16 16 N -0.58 -16.07 7.39 27.70 0.20 -15.86 16 17 C 0.58 18.62 9.41 -86.79 -0.82 17.81 16 18 O -0.65 -22.45 18.06 5.07 0.09 -22.36 16 19 N -0.65 -20.48 11.63 -16.34 -0.19 -20.67 16 20 C 0.11 0.81 6.37 -3.48 -0.02 0.78 16 21 C -0.13 -0.86 5.30 -26.38 -0.14 -1.00 16 22 O -0.53 -6.82 11.82 -59.50 -0.70 -7.53 16 23 C 0.15 1.59 1.56 -89.98 -0.14 1.45 16 24 C -0.15 -1.41 7.78 37.16 0.29 -1.12 16 25 C -0.15 -1.22 7.77 37.16 0.29 -0.93 16 26 H 0.06 0.59 8.14 -51.92 -0.42 0.17 16 27 H 0.06 0.43 7.00 -51.93 -0.36 0.07 16 28 H 0.07 0.72 6.60 -51.93 -0.34 0.38 16 29 H 0.06 0.44 6.61 -51.93 -0.34 0.10 16 30 H 0.06 0.38 7.00 -51.93 -0.36 0.01 16 31 H 0.06 0.50 8.14 -51.93 -0.42 0.08 16 32 H 0.13 0.16 8.14 -51.93 -0.42 -0.26 16 33 H 0.12 -0.06 8.14 -51.93 -0.42 -0.48 16 34 H 0.12 0.44 8.14 -51.93 -0.42 0.02 16 35 H 0.08 0.23 8.14 -51.93 -0.42 -0.19 16 36 H 0.09 -0.02 8.14 -51.93 -0.42 -0.44 16 37 H 0.11 0.79 7.01 -51.93 -0.36 0.43 16 38 H 0.07 0.35 8.14 -51.93 -0.42 -0.07 16 39 H 0.12 1.73 7.93 -51.91 -0.41 1.32 16 40 H 0.12 1.72 7.70 -51.92 -0.40 1.32 16 41 H 0.40 9.65 8.96 -182.54 -1.64 8.01 16 42 H 0.08 0.53 8.14 -51.93 -0.42 0.11 16 43 H 0.10 0.86 5.93 -51.93 -0.31 0.55 16 44 H 0.07 0.47 8.14 -51.93 -0.42 0.04 16 45 H 0.11 1.00 6.25 -51.93 -0.32 0.67 16 46 H 0.06 0.44 6.90 -51.93 -0.36 0.08 16 47 H 0.06 0.61 8.14 -51.93 -0.42 0.19 16 48 H 0.07 0.73 6.72 -51.92 -0.35 0.38 16 49 H 0.06 0.43 6.72 -51.93 -0.35 0.09 16 50 H 0.06 0.51 8.14 -51.93 -0.42 0.08 16 51 H 0.06 0.38 6.90 -51.93 -0.36 0.02 16 Total: -1.00 -45.24 409.80 -9.75 -54.99