REAL300018632691.mol2 49 1 C 0.09 0.45 11.47 127.77 1.47 1.92 16 2 N -0.39 -4.71 4.01 -369.57 -1.48 -6.20 16 3 C 0.07 0.98 11.07 83.54 0.92 1.90 16 4 C -0.24 -2.29 4.89 -20.14 -0.10 -2.39 16 5 C 0.20 1.14 3.47 31.18 0.11 1.25 16 6 O -0.33 4.43 11.23 -148.98 -1.67 2.76 16 7 C 0.07 -1.59 2.07 -14.76 -0.03 -1.62 16 8 C 0.07 -3.16 5.67 86.31 0.49 -2.67 16 9 N -0.51 28.19 1.74 -517.93 -0.90 27.28 16 10 H 0.44 -24.61 8.52 -89.69 -0.76 -25.37 16 11 H 0.44 -25.02 8.64 -89.69 -0.77 -25.79 16 12 C 0.06 -3.33 5.50 85.56 0.47 -2.86 16 13 C -0.11 5.08 5.36 -19.80 -0.11 4.97 16 14 C -0.01 0.60 9.68 22.24 0.22 0.81 16 15 C -0.12 2.82 9.75 22.49 0.22 3.04 16 16 C 0.33 -3.96 9.80 22.82 0.22 -3.73 16 17 O -0.75 -11.47 17.25 -127.47 -2.20 -13.66 16 18 O -0.75 -11.43 17.25 -127.47 -2.20 -13.63 16 19 C -0.12 2.82 9.75 22.49 0.22 3.04 16 20 C -0.01 0.60 9.68 22.24 0.22 0.81 16 21 C -0.14 0.56 7.27 29.38 0.21 0.78 16 22 C -0.22 -2.36 1.62 -54.62 -0.09 -2.45 16 23 C 0.49 17.96 7.82 71.24 0.56 18.51 16 24 O -0.73 -33.15 16.97 19.06 0.32 -32.83 16 25 O -0.75 -33.46 17.98 19.06 0.34 -33.12 16 26 C -0.13 1.13 7.48 30.58 0.23 1.36 16 27 C 0.07 0.22 10.54 85.24 0.90 1.12 16 28 N -0.33 -3.53 12.58 -57.02 -0.72 -4.25 16 29 H 0.09 0.02 8.14 -2.39 -0.02 0.00 16 30 H 0.09 0.34 8.14 -2.39 -0.02 0.32 16 31 H 0.09 0.34 8.14 -2.39 -0.02 0.32 16 32 H 0.16 2.57 8.06 -2.91 -0.02 2.54 16 33 H 0.07 0.81 8.14 -2.39 -0.02 0.79 16 34 H 0.19 -10.07 8.14 -2.38 -0.02 -10.09 16 35 H 0.18 -9.41 8.14 -2.39 -0.02 -9.43 16 36 H 0.19 -12.29 8.08 -2.39 -0.02 -12.31 16 37 H 0.19 -12.08 8.08 -2.39 -0.02 -12.10 16 38 H 0.23 -11.07 8.06 -2.91 -0.02 -11.10 16 39 H 0.16 -2.81 7.77 -2.91 -0.02 -2.83 16 40 H 0.33 4.46 8.90 -74.05 -0.66 3.80 16 41 H 0.33 4.44 8.90 -74.06 -0.66 3.78 16 42 H 0.16 -2.80 7.77 -2.91 -0.02 -2.83 16 43 H 0.23 -11.23 8.06 -2.91 -0.02 -11.25 16 44 H 0.07 -0.14 8.10 -2.39 -0.02 -0.16 16 45 H 0.11 -0.54 7.89 -2.39 -0.02 -0.56 16 46 H 0.12 -1.15 7.89 -2.38 -0.02 -1.17 16 47 H 0.09 -0.97 5.86 -2.39 -0.01 -0.98 16 48 H 0.22 -2.53 7.03 -2.91 -0.02 -2.55 16 Total: 0.00 -161.23 408.36 -5.60 -166.83