REAL300019878767.mol2 47 1 O -0.55 -9.02 15.40 5.56 0.09 -8.93 16 2 C 0.52 7.10 7.70 -10.99 -0.08 7.01 16 3 C -0.14 -1.42 4.03 -27.88 -0.11 -1.53 16 4 C -0.07 -0.64 4.62 -27.88 -0.13 -0.76 16 5 C -0.08 -0.60 5.16 -104.37 -0.54 -1.14 16 6 C -0.09 -0.35 9.68 -39.59 -0.38 -0.74 16 7 C -0.10 -0.27 10.04 -39.47 -0.40 -0.67 16 8 C -0.10 -0.42 10.04 -39.63 -0.40 -0.82 16 9 C -0.08 -0.61 6.31 -104.35 -0.66 -1.26 16 10 C 0.26 2.62 9.97 -38.81 -0.39 2.24 16 11 O -0.53 -8.57 17.75 -56.57 -1.00 -9.57 16 12 O -0.46 -7.29 15.05 -56.57 -0.85 -8.14 16 13 C 0.09 0.92 7.74 35.91 0.28 1.20 16 14 N -0.61 -8.20 2.97 -172.80 -0.51 -8.71 16 15 C 0.11 1.50 6.43 -3.71 -0.02 1.48 16 16 C -0.13 -1.80 5.36 -26.62 -0.14 -1.95 16 17 C -0.08 -1.30 2.14 -90.58 -0.19 -1.50 16 18 C 0.00 0.06 5.32 -27.88 -0.15 -0.09 16 19 C 0.06 1.59 6.81 -156.72 -1.07 0.53 16 20 N -0.39 -11.51 11.73 32.44 0.38 -11.13 16 21 N -0.20 -6.40 13.47 60.35 0.81 -5.59 16 22 N -0.20 -6.43 13.47 60.35 0.81 -5.62 16 23 N -0.39 -11.82 12.43 32.44 0.40 -11.42 16 24 C -0.13 -2.13 5.19 -26.64 -0.14 -2.27 16 25 C 0.11 1.42 6.34 -3.74 -0.02 1.40 16 26 H 0.10 0.73 7.94 -51.92 -0.41 0.32 16 27 H 0.10 1.19 7.69 -51.93 -0.40 0.79 16 28 H 0.10 1.26 7.30 -51.93 -0.38 0.88 16 29 H 0.09 0.75 8.01 -51.93 -0.42 0.33 16 30 H 0.16 0.26 8.06 -52.49 -0.42 -0.16 16 31 H 0.15 -0.03 8.06 -52.49 -0.42 -0.45 16 32 H 0.16 0.18 8.06 -52.48 -0.42 -0.24 16 33 H 0.36 4.85 9.30 45.56 0.42 5.27 16 34 H 0.07 0.57 8.14 -51.93 -0.42 0.14 16 35 H 0.07 0.62 8.14 -51.93 -0.42 0.19 16 36 H 0.09 1.23 7.00 -51.93 -0.36 0.86 16 37 H 0.07 0.82 8.14 -51.93 -0.42 0.40 16 38 H 0.08 0.96 8.14 -51.93 -0.42 0.54 16 39 H 0.07 0.97 8.14 -51.93 -0.42 0.55 16 40 H 0.07 1.31 8.14 -51.93 -0.42 0.89 16 41 H 0.07 1.30 8.14 -51.93 -0.42 0.88 16 42 H 0.06 1.31 8.14 -51.93 -0.42 0.89 16 43 H 0.07 1.15 8.14 -51.93 -0.42 0.72 16 44 H 0.09 1.83 6.79 -51.93 -0.35 1.48 16 45 H 0.08 0.93 5.93 -51.93 -0.31 0.62 16 46 H 0.07 0.89 8.14 -51.93 -0.42 0.47 16 Total: -1.00 -40.50 380.71 -6.39 -46.89