REAL300019804031.mol2 46 1 C -0.14 -2.69 9.47 37.16 0.35 -2.34 16 2 C -0.12 -2.34 4.38 -26.73 -0.12 -2.46 16 3 C 0.30 6.29 0.42 -132.97 -0.06 6.24 16 4 C -0.12 -2.58 4.77 -26.73 -0.13 -2.71 16 5 C -0.15 -3.09 9.36 37.16 0.35 -2.74 16 6 N -0.70 -12.95 3.40 -48.68 -0.17 -13.11 16 7 C 0.52 8.53 7.03 -10.98 -0.08 8.45 16 8 O -0.54 -10.12 12.25 5.56 0.07 -10.06 16 9 C -0.14 -1.69 5.68 -27.88 -0.16 -1.84 16 10 C -0.07 -0.73 4.62 -27.88 -0.13 -0.85 16 11 C -0.08 -0.66 5.16 -104.37 -0.54 -1.20 16 12 C -0.09 -0.44 9.69 -39.59 -0.38 -0.82 16 13 C -0.10 -0.35 10.04 -39.48 -0.40 -0.75 16 14 C -0.11 -0.49 10.04 -39.63 -0.40 -0.89 16 15 C -0.08 -0.66 6.31 -104.36 -0.66 -1.32 16 16 C 0.26 2.85 9.97 -38.81 -0.39 2.46 16 17 O -0.53 -8.85 17.75 -56.57 -1.00 -9.85 16 18 O -0.47 -7.66 15.05 -56.57 -0.85 -8.51 16 19 C 0.09 0.98 7.74 35.91 0.28 1.26 16 20 C 0.05 1.36 5.88 -156.72 -0.92 0.44 16 21 N -0.37 -10.53 10.11 32.44 0.33 -10.20 16 22 N -0.20 -6.00 13.47 60.35 0.81 -5.19 16 23 N -0.20 -6.01 13.47 60.35 0.81 -5.19 16 24 N -0.37 -10.48 10.08 32.44 0.33 -10.15 16 25 H 0.07 1.63 6.14 -51.93 -0.32 1.31 16 26 H 0.04 0.65 7.29 -51.93 -0.38 0.27 16 27 H 0.04 0.70 8.14 -51.93 -0.42 0.28 16 28 H 0.07 1.45 6.32 -51.93 -0.33 1.12 16 29 H 0.07 1.49 8.05 -51.93 -0.42 1.07 16 30 H 0.06 1.28 8.14 -51.93 -0.42 0.86 16 31 H 0.08 1.62 6.17 -51.93 -0.32 1.30 16 32 H 0.04 0.68 8.14 -51.93 -0.42 0.26 16 33 H 0.05 0.95 7.60 -51.93 -0.39 0.55 16 34 H 0.08 1.95 5.68 -51.93 -0.30 1.66 16 35 H 0.40 7.38 8.46 -40.82 -0.35 7.03 16 36 H 0.09 0.89 8.14 -51.93 -0.42 0.47 16 37 H 0.10 1.28 8.14 -51.93 -0.42 0.86 16 38 H 0.10 1.40 7.29 -51.93 -0.38 1.02 16 39 H 0.09 0.91 8.01 -51.93 -0.42 0.50 16 40 H 0.16 0.46 8.06 -52.49 -0.42 0.04 16 41 H 0.15 0.08 8.06 -52.49 -0.42 -0.34 16 42 H 0.16 0.26 8.06 -52.49 -0.42 -0.16 16 43 H 0.36 5.06 9.30 45.56 0.42 5.49 16 44 H 0.07 0.58 8.14 -51.93 -0.42 0.16 16 45 H 0.07 0.61 8.14 -51.93 -0.42 0.18 16 Total: -1.00 -36.98 367.62 -4.90 -41.88