REAL300019841815.mol2 46 1 C -0.13 -1.09 8.81 37.16 0.33 -0.77 16 2 C 0.09 1.04 1.09 -90.82 -0.10 0.94 16 3 C -0.16 -1.64 8.56 37.16 0.32 -1.32 16 4 C -0.09 -0.72 4.67 -28.21 -0.13 -0.85 16 5 C -0.10 -0.95 5.24 -104.31 -0.55 -1.50 16 6 C -0.06 -0.36 9.72 -39.63 -0.39 -0.75 16 7 C -0.14 -0.87 9.95 -39.31 -0.39 -1.26 16 8 C 0.19 1.98 6.29 -83.67 -0.53 1.45 16 9 N -0.67 -6.72 5.28 -10.70 -0.06 -6.78 16 10 C 0.56 8.64 7.61 -12.34 -0.09 8.55 16 11 O -0.49 -9.97 13.82 5.31 0.07 -9.89 16 12 C -0.12 -1.82 5.87 -104.99 -0.62 -2.44 16 13 C -0.14 -1.51 9.54 -39.15 -0.37 -1.89 16 14 C -0.10 -1.11 10.02 -39.67 -0.40 -1.51 16 15 C -0.15 -2.05 9.96 -39.30 -0.39 -2.44 16 16 C 0.20 3.82 6.38 -83.77 -0.53 3.28 16 17 N -0.64 -13.66 5.48 -11.39 -0.06 -13.72 16 18 C 0.29 8.00 8.81 -321.06 -2.83 5.18 16 19 N -0.40 -12.12 9.76 30.00 0.29 -11.83 16 20 N -0.18 -5.82 13.45 60.35 0.81 -5.01 16 21 N -0.18 -5.84 13.45 60.35 0.81 -5.03 16 22 N -0.41 -12.37 12.48 30.00 0.37 -11.99 16 23 C -0.07 -1.40 8.38 -38.97 -0.33 -1.73 16 24 C -0.12 -1.65 8.50 -39.16 -0.33 -1.99 16 25 C 0.26 3.51 8.11 -38.92 -0.32 3.19 16 26 O -0.58 -11.43 17.84 -57.23 -1.02 -12.45 16 27 O -0.43 -7.13 13.61 -57.23 -0.78 -7.91 16 28 H 0.07 0.39 8.14 -51.93 -0.42 -0.03 16 29 H 0.07 0.60 8.14 -51.93 -0.42 0.18 16 30 H 0.06 0.54 8.14 -51.93 -0.42 0.12 16 31 H 0.06 0.66 6.39 -51.93 -0.33 0.32 16 32 H 0.06 0.67 8.14 -51.93 -0.42 0.25 16 33 H 0.06 0.41 8.14 -51.93 -0.42 -0.01 16 34 H 0.09 0.73 8.14 -51.93 -0.42 0.31 16 35 H 0.09 0.42 8.12 -51.93 -0.42 0.00 16 36 H 0.16 0.31 8.06 -52.49 -0.42 -0.11 16 37 H 0.15 0.42 8.06 -52.48 -0.42 0.00 16 38 H 0.42 2.44 6.86 -40.82 -0.28 2.16 16 39 H 0.12 0.77 6.41 -52.49 -0.34 0.44 16 40 H 0.13 0.96 8.06 -52.49 -0.42 0.54 16 41 H 0.13 1.46 8.06 -52.49 -0.42 1.04 16 42 H 0.41 7.53 8.94 -40.82 -0.36 7.17 16 43 H 0.16 3.97 5.76 -52.49 -0.30 3.67 16 44 H 0.18 3.12 6.23 -52.49 -0.33 2.79 16 45 H 0.34 5.78 9.26 45.56 0.42 6.20 16 Total: -1.00 -42.06 381.74 -7.62 -49.68