REAL300009850743.mol2 38 1 O -0.67 -24.02 17.33 -20.23 -0.35 -24.37 16 2 C 0.49 15.77 8.12 36.00 0.29 16.06 16 3 O -0.69 -24.27 18.00 -20.24 -0.36 -24.63 16 4 C 0.01 0.26 5.88 -5.20 -0.03 0.23 16 5 N -0.45 -9.60 2.06 -120.64 -0.25 -9.85 16 6 C 0.19 3.02 10.25 -16.85 -0.17 2.85 16 7 C -0.27 -3.42 9.99 -40.01 -0.40 -3.82 16 8 C 0.03 0.41 9.74 -38.71 -0.38 0.03 16 9 C -0.28 -5.24 4.85 -104.51 -0.51 -5.75 16 10 C 0.61 11.70 6.84 -12.67 -0.09 11.62 16 11 O -0.51 -12.34 17.41 5.23 0.09 -12.25 16 12 N -0.62 -8.05 3.33 -171.92 -0.57 -8.63 16 13 C 0.11 0.77 6.47 -3.07 -0.02 0.75 16 14 C -0.10 -0.20 6.42 -24.90 -0.16 -0.36 16 15 C -0.16 -0.75 3.18 -88.47 -0.28 -1.03 16 16 C 0.39 1.31 9.02 37.16 0.34 1.64 16 17 O -0.75 -11.74 17.78 -57.73 -1.03 -12.77 16 18 O -0.69 -10.41 14.69 -57.73 -0.85 -11.26 16 19 C 0.12 1.32 5.39 -2.53 -0.01 1.31 16 20 C 0.54 12.47 7.44 -14.92 -0.11 12.36 16 21 O -0.54 -14.84 16.10 5.02 0.08 -14.76 16 22 H 0.10 2.46 7.37 -51.93 -0.38 2.08 16 23 H 0.09 1.78 8.00 -51.93 -0.42 1.37 16 24 H 0.16 2.01 8.02 -52.48 -0.42 1.59 16 25 H 0.15 1.28 8.06 -52.48 -0.42 0.85 16 26 H 0.13 1.36 8.06 -52.49 -0.42 0.94 16 27 H 0.08 0.46 7.97 -51.93 -0.41 0.05 16 28 H 0.08 0.66 8.14 -51.93 -0.42 0.24 16 29 H 0.09 0.00 8.04 -51.93 -0.42 -0.41 16 30 H 0.11 -0.11 8.14 -51.93 -0.42 -0.53 16 31 H 0.13 0.60 8.14 -51.93 -0.42 0.18 16 32 H 0.14 -0.12 8.14 -51.93 -0.42 -0.55 16 33 H 0.14 0.03 8.10 -51.93 -0.42 -0.39 16 34 H 0.33 4.64 8.90 45.56 0.41 5.04 16 35 H 0.33 4.64 8.90 45.56 0.41 5.05 16 36 H 0.07 0.81 8.00 -51.93 -0.42 0.39 16 37 H 0.11 1.61 6.48 -51.92 -0.34 1.27 16 Total: -1.00 -55.75 328.75 -4.77 -60.51