REAL300018030402.mol2 37 1 O -0.70 -25.59 17.80 -20.67 -0.37 -25.96 16 2 C 0.55 18.64 8.02 34.01 0.27 18.92 16 3 O -0.69 -25.12 17.03 -20.67 -0.35 -25.47 16 4 C -0.20 -5.39 6.27 -103.36 -0.65 -6.04 16 5 C 0.05 1.06 11.59 -16.59 -0.19 0.87 16 6 N -0.60 -10.60 5.98 -10.46 -0.06 -10.67 16 7 C 0.12 2.38 7.25 -83.97 -0.61 1.77 16 8 C -0.22 -3.38 9.90 -39.21 -0.39 -3.77 16 9 C 0.22 3.08 6.65 -83.75 -0.56 2.53 16 10 N -0.75 -7.00 5.73 -59.79 -0.34 -7.35 16 11 C 0.17 1.14 5.02 -5.19 -0.03 1.11 16 12 C -0.06 -0.27 5.24 -104.67 -0.55 -0.82 16 13 C -0.09 -0.24 9.69 -39.48 -0.38 -0.62 16 14 C -0.08 -0.16 10.03 -39.63 -0.40 -0.55 16 15 C -0.11 -0.54 9.75 -39.25 -0.38 -0.92 16 16 C 0.32 2.77 9.80 -38.72 -0.38 2.39 16 17 O -0.66 -10.56 17.25 -57.73 -1.00 -11.56 16 18 O -0.68 -10.42 17.25 -57.73 -1.00 -11.41 16 19 C -0.09 -0.66 9.40 -39.25 -0.37 -1.03 16 20 C -0.22 -3.58 9.29 -39.37 -0.37 -3.94 16 21 C -0.01 -0.12 9.84 -39.41 -0.39 -0.51 16 22 C -0.12 -2.74 6.27 -104.89 -0.66 -3.40 16 23 H 0.17 3.43 8.06 -52.48 -0.42 3.01 16 24 H 0.41 5.29 8.96 -40.82 -0.37 4.93 16 25 H 0.11 1.37 8.06 -52.49 -0.42 0.95 16 26 H 0.40 3.10 8.47 -40.82 -0.35 2.75 16 27 H 0.08 0.56 7.88 -51.93 -0.41 0.15 16 28 H 0.08 0.48 7.88 -51.93 -0.41 0.08 16 29 H 0.16 0.14 8.06 -52.48 -0.42 -0.29 16 30 H 0.17 -0.17 8.06 -52.48 -0.42 -0.60 16 31 H 0.17 0.86 7.77 -52.49 -0.41 0.45 16 32 H 0.33 4.38 8.90 45.56 0.41 4.79 16 33 H 0.33 4.21 8.90 45.56 0.41 4.62 16 34 H 0.18 1.43 7.77 -52.49 -0.41 1.03 16 35 H 0.12 1.50 6.69 -52.49 -0.35 1.15 16 36 H 0.14 3.10 7.42 -52.49 -0.39 2.72 16 Total: -1.00 -47.61 327.93 -8.16 -55.77