REAL300019974260.mol2 53 1 C -0.14 -1.49 7.78 37.16 0.29 -1.20 16 2 C 0.15 1.85 1.57 -89.98 -0.14 1.71 16 3 C -0.15 -1.59 7.79 37.15 0.29 -1.30 16 4 O -0.53 -8.15 14.20 -59.50 -0.84 -8.99 16 5 C 0.24 1.79 6.28 -92.47 -0.58 1.20 16 6 C -0.16 -0.72 9.78 -26.76 -0.26 -0.99 16 7 C -0.15 -0.94 6.14 -90.93 -0.56 -1.50 16 8 C 0.13 0.87 6.22 -4.76 -0.03 0.84 16 9 N -0.62 -4.51 3.01 -176.41 -0.53 -5.04 16 10 C 0.51 5.87 7.63 -10.98 -0.08 5.79 16 11 O -0.51 -8.33 15.29 5.56 0.08 -8.24 16 12 C -0.14 -1.48 3.97 -27.88 -0.11 -1.59 16 13 C -0.09 -1.61 4.49 -26.73 -0.12 -1.73 16 14 C 0.00 0.01 5.84 -27.88 -0.16 -0.15 16 15 C 0.05 1.50 7.62 -156.72 -1.19 0.31 16 16 N -0.39 -11.94 12.43 32.44 0.40 -11.54 16 17 N -0.20 -6.49 13.47 60.35 0.81 -5.68 16 18 N -0.20 -6.50 13.47 60.35 0.81 -5.68 16 19 N -0.39 -11.96 12.43 32.44 0.40 -11.55 16 20 C 0.12 0.46 5.97 -5.34 -0.03 0.43 16 21 C -0.13 -0.65 6.03 -28.26 -0.17 -0.82 16 22 O -0.53 -8.29 13.88 -59.50 -0.83 -9.12 16 23 C 0.15 1.92 1.56 -89.98 -0.14 1.78 16 24 C -0.14 -1.53 7.79 37.16 0.29 -1.24 16 25 C -0.15 -1.70 7.78 37.16 0.29 -1.41 16 26 H 0.06 0.64 8.14 -51.93 -0.42 0.22 16 27 H 0.06 0.49 7.00 -51.93 -0.36 0.12 16 28 H 0.06 0.72 6.60 -51.93 -0.34 0.38 16 29 H 0.06 0.66 6.62 -51.93 -0.34 0.32 16 30 H 0.06 0.52 7.01 -51.93 -0.36 0.16 16 31 H 0.06 0.63 8.14 -51.93 -0.42 0.21 16 32 H 0.13 0.21 8.12 -51.93 -0.42 -0.21 16 33 H 0.14 0.73 8.14 -51.93 -0.42 0.31 16 34 H 0.16 1.22 7.97 -51.93 -0.41 0.80 16 35 H 0.11 0.98 7.01 -51.93 -0.36 0.61 16 36 H 0.09 0.43 8.12 -51.93 -0.42 0.00 16 37 H 0.10 0.80 7.66 -51.93 -0.40 0.40 16 38 H 0.10 0.76 7.79 -51.93 -0.40 0.35 16 39 H 0.07 1.36 8.10 -51.93 -0.42 0.94 16 40 H 0.07 1.38 8.10 -51.93 -0.42 0.96 16 41 H 0.07 1.17 8.14 -51.92 -0.42 0.75 16 42 H 0.07 1.16 8.14 -51.93 -0.42 0.74 16 43 H 0.08 0.12 8.14 -51.93 -0.42 -0.30 16 44 H 0.12 0.32 5.50 -51.93 -0.29 0.04 16 45 H 0.11 0.43 8.14 -51.93 -0.42 0.01 16 46 H 0.11 0.69 8.14 -51.93 -0.42 0.27 16 47 H 0.06 0.50 6.90 -51.93 -0.36 0.14 16 48 H 0.06 0.65 8.14 -51.93 -0.42 0.23 16 49 H 0.06 0.73 6.72 -51.93 -0.35 0.38 16 50 H 0.06 0.72 6.73 -51.93 -0.35 0.37 16 51 H 0.06 0.69 8.14 -51.93 -0.42 0.27 16 52 H 0.06 0.55 6.90 -51.93 -0.36 0.19 16 Total: -1.00 -44.35 406.68 -6.59 -50.95