REAL300019713109.mol2 45 1 O -0.52 -7.27 13.42 5.55 0.07 -7.19 16 2 C 0.51 5.13 7.67 -10.99 -0.08 5.05 16 3 C -0.13 -0.80 5.68 -27.89 -0.16 -0.96 16 4 C -0.07 -0.46 4.62 -27.88 -0.13 -0.58 16 5 C -0.08 -0.38 5.16 -104.37 -0.54 -0.92 16 6 C -0.08 -0.14 9.69 -39.59 -0.38 -0.52 16 7 C -0.10 -0.05 10.04 -39.47 -0.40 -0.44 16 8 C -0.10 -0.16 10.04 -39.63 -0.40 -0.56 16 9 C -0.08 -0.40 6.31 -104.35 -0.66 -1.06 16 10 C 0.26 1.88 9.97 -38.81 -0.39 1.49 16 11 O -0.54 -6.99 17.75 -56.57 -1.00 -7.99 16 12 O -0.46 -5.97 15.05 -56.57 -0.85 -6.83 16 13 C 0.09 0.67 7.74 35.92 0.28 0.95 16 14 N -0.67 -6.19 5.34 -9.83 -0.05 -6.24 16 15 C 0.09 1.09 6.30 -83.62 -0.53 0.56 16 16 C -0.10 -1.21 9.96 -39.41 -0.39 -1.60 16 17 C -0.20 -2.91 9.03 -39.46 -0.36 -3.27 16 18 C 0.14 2.48 6.69 -39.23 -0.26 2.22 16 19 O -0.31 -6.76 10.12 -19.65 -0.20 -6.96 16 20 C 0.18 4.06 5.36 36.01 0.19 4.25 16 21 C 0.04 1.26 7.99 -156.73 -1.25 0.01 16 22 N -0.37 -11.46 12.43 32.44 0.40 -11.06 16 23 N -0.19 -6.19 13.47 60.35 0.81 -5.38 16 24 N -0.19 -6.19 13.47 60.35 0.81 -5.38 16 25 N -0.37 -11.45 12.43 32.44 0.40 -11.04 16 26 C -0.14 -2.35 9.98 -39.46 -0.39 -2.74 16 27 C -0.08 -1.14 8.69 -39.41 -0.34 -1.49 16 28 H 0.10 0.63 8.14 -51.93 -0.42 0.21 16 29 H 0.10 0.29 8.14 -51.93 -0.42 -0.13 16 30 H 0.10 0.55 8.01 -51.93 -0.42 0.13 16 31 H 0.10 0.99 7.30 -51.92 -0.38 0.62 16 32 H 0.16 -0.11 8.06 -52.48 -0.42 -0.53 16 33 H 0.15 -0.35 8.06 -52.49 -0.42 -0.78 16 34 H 0.16 -0.19 8.06 -52.49 -0.42 -0.61 16 35 H 0.36 3.77 9.30 45.56 0.42 4.20 16 36 H 0.07 0.42 8.14 -51.93 -0.42 0.00 16 37 H 0.07 0.41 8.14 -51.93 -0.42 -0.02 16 38 H 0.41 2.30 8.82 -40.82 -0.36 1.94 16 39 H 0.12 1.10 8.06 -52.48 -0.42 0.68 16 40 H 0.13 1.81 6.29 -52.49 -0.33 1.48 16 41 H 0.07 1.38 7.66 -51.93 -0.40 0.99 16 42 H 0.07 1.39 7.66 -51.93 -0.40 0.99 16 43 H 0.13 2.17 8.06 -52.48 -0.42 1.74 16 44 H 0.14 2.15 6.22 -52.49 -0.33 1.82 16 Total: -1.00 -43.16 388.51 -5.92 -49.09