REAL300009850682.mol2 38 1 O -0.68 -20.87 16.57 -20.23 -0.34 -21.21 16 2 C 0.52 14.62 7.00 36.01 0.25 14.87 16 3 O -0.67 -20.69 16.15 -20.23 -0.33 -21.02 16 4 C -0.18 -3.93 1.21 -156.00 -0.19 -4.11 16 5 C 0.56 11.44 6.23 -10.99 -0.07 11.37 16 6 O -0.54 -11.30 13.58 5.56 0.08 -11.22 16 7 N -0.66 -11.42 4.71 -9.89 -0.05 -11.46 16 8 C 0.21 3.08 6.25 -83.75 -0.52 2.56 16 9 C -0.16 -1.76 9.69 -38.96 -0.38 -2.14 16 10 C -0.02 -0.24 5.74 -106.77 -0.61 -0.85 16 11 C -0.06 -0.43 9.73 -39.52 -0.38 -0.81 16 12 C -0.11 -1.05 9.65 -39.64 -0.38 -1.43 16 13 C 0.32 3.85 9.78 -38.67 -0.38 3.47 16 14 O -0.69 -12.47 17.19 -57.73 -0.99 -13.47 16 15 O -0.69 -12.26 17.20 -57.73 -0.99 -13.26 16 16 C -0.08 -0.80 9.49 -38.78 -0.37 -1.17 16 17 C -0.04 -0.47 5.74 -106.81 -0.61 -1.09 16 18 C -0.08 -0.88 9.74 -39.48 -0.38 -1.26 16 19 C -0.09 -1.33 8.55 -39.76 -0.34 -1.67 16 20 C -0.11 -2.01 7.07 -25.83 -0.18 -2.19 16 21 C -0.13 -2.34 7.64 -25.83 -0.20 -2.54 16 22 C -0.10 -2.02 6.97 -25.92 -0.18 -2.21 16 23 H 0.42 7.03 8.41 -40.82 -0.34 6.69 16 24 H 0.14 1.18 8.06 -52.49 -0.42 0.76 16 25 H 0.17 0.67 8.06 -52.49 -0.42 0.25 16 26 H 0.17 1.45 7.73 -52.49 -0.41 1.04 16 27 H 0.33 5.01 8.90 45.56 0.41 5.41 16 28 H 0.33 4.93 8.90 45.56 0.41 5.33 16 29 H 0.18 1.78 7.73 -52.49 -0.41 1.38 16 30 H 0.14 1.25 8.06 -52.49 -0.42 0.83 16 31 H 0.15 2.51 6.40 -52.49 -0.34 2.17 16 32 H 0.07 1.10 8.09 -51.93 -0.42 0.68 16 33 H 0.07 1.37 8.09 -51.93 -0.42 0.95 16 34 H 0.10 2.05 7.03 -51.93 -0.37 1.69 16 35 H 0.06 0.87 8.14 -51.93 -0.42 0.45 16 36 H 0.07 1.41 8.09 -51.93 -0.42 0.99 16 37 H 0.08 1.53 7.45 -51.93 -0.39 1.14 16 Total: -1.00 -39.13 325.06 -7.03 -46.17