REAL300019889569.mol2 47 1 O -0.53 -11.79 15.39 5.56 0.09 -11.70 16 2 C 0.51 8.66 7.70 -10.99 -0.08 8.58 16 3 C -0.13 -1.51 4.03 -27.88 -0.11 -1.63 16 4 C -0.07 -0.81 4.62 -27.88 -0.13 -0.94 16 5 C -0.08 -0.64 5.16 -104.37 -0.54 -1.17 16 6 C -0.08 -0.41 9.69 -39.59 -0.38 -0.80 16 7 C -0.10 -0.30 10.04 -39.47 -0.40 -0.69 16 8 C -0.11 -0.41 10.04 -39.63 -0.40 -0.81 16 9 C -0.08 -0.60 6.31 -104.35 -0.66 -1.26 16 10 C 0.26 2.68 9.97 -38.81 -0.39 2.30 16 11 O -0.53 -8.62 17.74 -56.57 -1.00 -9.62 16 12 O -0.47 -7.24 15.05 -56.57 -0.85 -8.09 16 13 C 0.09 0.90 7.74 35.91 0.28 1.18 16 14 N -0.61 -9.70 2.97 -172.48 -0.51 -10.22 16 15 C 0.11 1.15 6.37 -3.49 -0.02 1.13 16 16 C -0.13 -1.37 6.10 -26.38 -0.16 -1.53 16 17 C -0.11 -1.46 5.17 -26.69 -0.14 -1.60 16 18 C -0.09 -1.61 2.33 -90.49 -0.21 -1.82 16 19 C 0.01 0.12 5.32 -27.88 -0.15 -0.03 16 20 C 0.05 1.50 6.83 -156.73 -1.07 0.43 16 21 N -0.39 -12.25 12.43 32.43 0.40 -11.85 16 22 N -0.20 -6.69 13.47 60.35 0.81 -5.88 16 23 N -0.20 -6.60 13.47 60.35 0.81 -5.79 16 24 N -0.39 -12.02 11.94 32.43 0.39 -11.63 16 25 C 0.12 2.36 5.42 -3.69 -0.02 2.34 16 26 H 0.10 1.10 7.93 -51.93 -0.41 0.68 16 27 H 0.09 0.78 7.70 -51.93 -0.40 0.38 16 28 H 0.10 1.05 8.01 -51.93 -0.42 0.64 16 29 H 0.10 1.49 7.29 -51.93 -0.38 1.11 16 30 H 0.16 0.47 8.06 -52.48 -0.42 0.05 16 31 H 0.15 0.01 8.06 -52.49 -0.42 -0.41 16 32 H 0.16 0.15 8.06 -52.49 -0.42 -0.27 16 33 H 0.36 4.78 9.30 45.56 0.42 5.21 16 34 H 0.07 0.54 8.14 -51.93 -0.42 0.11 16 35 H 0.07 0.55 8.14 -51.93 -0.42 0.13 16 36 H 0.07 0.70 8.14 -51.93 -0.42 0.28 16 37 H 0.08 0.67 5.93 -51.93 -0.31 0.36 16 38 H 0.07 0.72 8.14 -51.93 -0.42 0.30 16 39 H 0.07 0.56 8.14 -51.93 -0.42 0.14 16 40 H 0.07 0.80 8.14 -51.93 -0.42 0.37 16 41 H 0.06 0.77 8.14 -51.93 -0.42 0.34 16 42 H 0.07 1.47 8.14 -51.93 -0.42 1.05 16 43 H 0.07 1.31 8.14 -51.93 -0.42 0.89 16 44 H 0.07 1.36 8.14 -51.93 -0.42 0.94 16 45 H 0.10 2.61 6.05 -51.93 -0.31 2.30 16 46 H 0.07 1.22 8.14 -51.93 -0.42 0.80 16 Total: -1.00 -43.53 381.24 -6.42 -49.95