REAL300008430920.mol2 53 1 C -0.15 -0.50 7.78 37.16 0.29 -0.22 16 2 C 0.15 0.67 1.57 -89.98 -0.14 0.53 16 3 C -0.15 -0.23 7.79 37.16 0.29 0.06 16 4 O -0.54 -3.68 14.24 -59.50 -0.85 -4.52 16 5 C 0.27 -1.26 6.42 -26.67 -0.17 -1.43 16 6 C -0.18 1.05 6.09 -26.59 -0.16 0.89 16 7 C 0.13 -1.17 6.43 -3.71 -0.02 -1.20 16 8 N -0.60 6.27 2.97 -172.77 -0.51 5.76 16 9 C 0.52 -5.66 6.89 -10.98 -0.08 -5.74 16 10 O -0.52 4.25 15.63 5.56 0.09 4.33 16 11 C 0.00 -0.02 2.16 -68.86 -0.15 -0.17 16 12 H 0.16 -2.84 6.79 -51.93 -0.35 -3.19 16 13 N -0.62 12.41 3.91 -5.65 -0.02 12.39 16 14 H 0.44 -8.71 8.46 -39.29 -0.33 -9.04 16 15 H 0.44 -9.46 7.26 -39.29 -0.29 -9.75 16 16 H 0.43 -10.22 8.96 -39.29 -0.35 -10.57 16 17 C -0.12 0.68 3.78 -26.73 -0.10 0.58 16 18 C -0.20 0.04 5.53 -27.88 -0.15 -0.11 16 19 C 0.49 6.68 8.05 36.01 0.29 6.97 16 20 O -0.68 -12.10 16.88 -20.22 -0.34 -12.44 16 21 O -0.68 -13.47 18.00 -20.22 -0.36 -13.83 16 22 C 0.11 -1.17 5.76 -3.71 -0.02 -1.19 16 23 C -0.18 1.09 5.38 -26.61 -0.14 0.95 16 24 O -0.52 -3.75 13.64 -59.50 -0.81 -4.56 16 25 C 0.15 0.70 1.56 -89.97 -0.14 0.56 16 26 C -0.15 -0.59 7.78 37.16 0.29 -0.30 16 27 C -0.15 -0.29 7.78 37.16 0.29 0.00 16 28 H 0.06 0.21 8.14 -51.93 -0.42 -0.22 16 29 H 0.06 0.09 7.00 -51.93 -0.36 -0.28 16 30 H 0.07 0.32 6.61 -51.93 -0.34 -0.03 16 31 H 0.06 0.04 6.62 -51.93 -0.34 -0.30 16 32 H 0.06 0.01 7.01 -51.93 -0.36 -0.35 16 33 H 0.06 0.10 8.14 -51.93 -0.42 -0.33 16 34 H 0.13 -1.04 8.14 -51.93 -0.42 -1.46 16 35 H 0.11 -0.38 8.14 -51.93 -0.42 -0.81 16 36 H 0.12 -0.64 8.14 -51.93 -0.42 -1.06 16 37 H 0.13 -1.05 7.00 -51.93 -0.36 -1.42 16 38 H 0.10 -1.10 8.14 -51.93 -0.42 -1.52 16 39 H 0.10 -0.39 8.10 -51.93 -0.42 -0.81 16 40 H 0.12 -0.38 6.93 -51.93 -0.36 -0.74 16 41 H 0.08 -0.16 8.14 -51.93 -0.42 -0.58 16 42 H 0.06 -0.26 6.74 -51.93 -0.35 -0.61 16 43 H 0.10 -1.37 8.14 -51.93 -0.42 -1.79 16 44 H 0.12 -1.44 4.84 -51.92 -0.25 -1.69 16 45 H 0.12 -0.69 8.14 -51.93 -0.42 -1.11 16 46 H 0.11 -0.33 8.14 -51.93 -0.42 -0.75 16 47 H 0.06 0.11 6.90 -51.93 -0.36 -0.24 16 48 H 0.07 0.29 8.14 -51.93 -0.42 -0.14 16 49 H 0.07 0.35 6.72 -51.93 -0.35 0.01 16 50 H 0.06 0.05 6.73 -51.93 -0.35 -0.30 16 51 H 0.07 0.15 8.14 -51.93 -0.42 -0.28 16 52 H 0.06 0.03 6.91 -51.93 -0.36 -0.33 16 Total: 0.00 -48.78 393.31 -7.69 -56.47