REAL300009850667.mol2 38 1 O -0.68 -23.31 17.33 -20.23 -0.35 -23.66 16 2 C 0.49 15.36 8.12 36.01 0.29 15.65 16 3 O -0.68 -23.75 18.00 -20.23 -0.36 -24.12 16 4 C 0.01 0.21 5.88 -5.20 -0.03 0.18 16 5 N -0.45 -8.92 2.06 -120.64 -0.25 -9.17 16 6 C 0.20 2.83 10.25 -16.85 -0.17 2.66 16 7 C -0.27 -2.96 9.99 -40.01 -0.40 -3.36 16 8 C 0.03 0.39 9.47 -38.71 -0.37 0.02 16 9 C -0.29 -4.74 3.83 -104.50 -0.40 -5.14 16 10 C 0.61 9.29 6.69 -12.68 -0.08 9.20 16 11 O -0.50 -9.87 16.52 5.23 0.09 -9.79 16 12 N -0.63 -5.89 2.98 -174.42 -0.52 -6.41 16 13 C 0.13 0.88 6.41 -3.93 -0.03 0.85 16 14 C -0.18 -1.41 5.27 -26.83 -0.14 -1.55 16 15 C 0.39 3.09 5.89 -26.69 -0.16 2.93 16 16 O -0.74 -13.15 16.88 -57.73 -0.97 -14.12 16 17 O -0.73 -13.10 16.88 -57.73 -0.97 -14.08 16 18 C -0.19 -1.41 5.29 -26.61 -0.14 -1.55 16 19 C 0.13 0.79 6.23 -3.71 -0.02 0.77 16 20 C 0.54 11.44 7.43 -14.92 -0.11 11.33 16 21 O -0.54 -13.85 16.11 5.03 0.08 -13.77 16 22 H 0.10 2.42 7.38 -51.93 -0.38 2.04 16 23 H 0.09 1.74 8.00 -51.93 -0.42 1.33 16 24 H 0.16 1.84 8.02 -52.48 -0.42 1.41 16 25 H 0.15 1.05 8.06 -52.48 -0.42 0.63 16 26 H 0.13 0.99 8.06 -52.48 -0.42 0.56 16 27 H 0.13 1.10 6.99 -51.93 -0.36 0.74 16 28 H 0.09 0.24 8.14 -51.93 -0.42 -0.19 16 29 H 0.13 0.91 7.88 -51.93 -0.41 0.50 16 30 H 0.11 1.18 8.14 -51.93 -0.42 0.76 16 31 H 0.15 0.45 8.14 -51.93 -0.42 0.03 16 32 H 0.32 5.27 8.90 45.56 0.41 5.67 16 33 H 0.32 5.27 8.90 45.56 0.41 5.68 16 34 H 0.13 0.89 7.88 -51.92 -0.41 0.48 16 35 H 0.11 1.21 8.14 -51.93 -0.42 0.79 16 36 H 0.09 0.16 8.14 -51.93 -0.42 -0.26 16 37 H 0.12 0.87 6.14 -51.93 -0.32 0.55 16 Total: -1.00 -52.50 324.43 -5.00 -57.51