REAL300009850809.mol2 51 1 O -0.67 -23.44 17.09 -20.23 -0.35 -23.79 16 2 C 0.51 15.88 6.46 36.01 0.23 16.12 16 3 O -0.69 -23.10 18.00 -20.23 -0.36 -23.47 16 4 C -0.17 -4.04 1.29 -92.92 -0.12 -4.16 16 5 C 0.54 12.15 5.51 -10.99 -0.06 12.09 16 6 O -0.54 -13.66 15.77 5.55 0.09 -13.57 16 7 N -0.62 -10.46 2.94 -172.67 -0.51 -10.97 16 8 C 0.11 1.55 6.15 -3.66 -0.02 1.52 16 9 C -0.11 -1.09 5.20 -26.69 -0.14 -1.23 16 10 C -0.07 -0.48 0.76 -154.34 -0.12 -0.59 16 11 C -0.10 -0.44 6.42 -26.08 -0.17 -0.61 16 12 C -0.17 -0.73 3.81 -89.75 -0.34 -1.07 16 13 C 0.31 1.24 8.89 37.16 0.33 1.57 16 14 O -0.64 -10.32 17.78 -57.73 -1.03 -11.35 16 15 O -0.71 -11.33 17.73 -57.73 -1.02 -12.35 16 16 C -0.13 -0.63 5.54 -26.09 -0.14 -0.77 16 17 C -0.11 -0.95 5.25 -26.68 -0.14 -1.09 16 18 C 0.11 1.43 6.29 -3.67 -0.02 1.41 16 19 C -0.05 -1.19 1.86 -89.50 -0.17 -1.36 16 20 C -0.11 -2.21 5.73 -25.07 -0.14 -2.35 16 21 C -0.12 -1.90 6.91 -24.73 -0.17 -2.07 16 22 C -0.12 -1.75 6.83 -25.10 -0.17 -1.92 16 23 C -0.12 -2.05 6.00 -25.64 -0.15 -2.20 16 24 H 0.08 1.74 5.73 -51.93 -0.30 1.45 16 25 H 0.10 1.80 5.26 -51.93 -0.27 1.53 16 26 H 0.07 0.92 7.42 -51.93 -0.39 0.54 16 27 H 0.08 0.77 8.14 -51.93 -0.42 0.35 16 28 H 0.08 0.63 7.31 -51.93 -0.38 0.25 16 29 H 0.10 0.51 7.33 -51.92 -0.38 0.12 16 30 H 0.10 0.19 8.03 -51.93 -0.42 -0.22 16 31 H 0.14 0.78 7.61 -51.93 -0.39 0.38 16 32 H 0.14 0.21 8.14 -51.93 -0.42 -0.21 16 33 H 0.13 0.03 7.84 -51.93 -0.41 -0.38 16 34 H 0.34 5.16 9.20 45.56 0.42 5.58 16 35 H 0.30 3.59 7.65 45.56 0.35 3.94 16 36 H 0.09 0.29 7.85 -51.93 -0.41 -0.12 16 37 H 0.09 0.54 8.09 -51.93 -0.42 0.12 16 38 H 0.07 0.42 8.12 -51.93 -0.42 0.00 16 39 H 0.07 0.70 8.14 -51.93 -0.42 0.28 16 40 H 0.09 1.35 7.00 -51.93 -0.36 0.99 16 41 H 0.06 0.69 8.06 -51.93 -0.42 0.27 16 42 H 0.09 2.15 7.62 -51.93 -0.40 1.75 16 43 H 0.06 1.24 7.84 -51.93 -0.41 0.84 16 44 H 0.07 1.50 8.14 -51.93 -0.42 1.08 16 45 H 0.06 0.93 8.14 -51.93 -0.42 0.50 16 46 H 0.06 0.81 8.14 -51.93 -0.42 0.39 16 47 H 0.06 0.72 8.14 -51.93 -0.42 0.30 16 48 H 0.06 0.82 8.14 -51.93 -0.42 0.39 16 49 H 0.06 1.01 8.14 -51.93 -0.42 0.59 16 50 H 0.05 0.89 7.10 -51.93 -0.37 0.52 16 Total: -1.00 -47.13 386.51 -8.05 -55.18